Browse Detail


TMDB ID Entry Name
CAS Number
Compound Formula
Molecular Weight
2D Structure
TMDB01040 2-Methylphenol
95-48-7
C7H8O
108.13782
TMDB01046 3-Ethylphenol
620-17-7
C8H10O
122.1644
TMDB01054 4-Propyl-1,2-benzenediol; 2-Me ether
2785-87-7
C10H14O2
166.21696
TMDB01075 1,4-Dimethoxybenzene
150-78-7
C8H10O2
138.1638
TMDB01077 1,2,3-Benzenetriol; Tri-Me ether
634-36-6
C9H12O3
168.18978
TMDB01078 5-Methyl-1,2,3-benzenetriol; Tri-Me ether
6443-69-2
C10H14O3
182.21636
TMDB00108 1,4,6-Trigalloylglucose; β-D-Pyranose-form
94513-58-3
C27H24O18
636.46866
TMDB01159 Cinchonain Ia; 10-Epimer, 3''-deoxy
155050-41-2
C24H20O8
436.4108
TMDB01160 Cinchonain Ia; 10-Epimer
85022-69-1
C24H20O9
452.4102
TMDB01161 8-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavan; (2R,3R)-form
103215-48-1
C21H24O11
452.40866
TMDB01208 4-O-Caffeoylquinic acid
905-99-7
C16H18O9
354.30872
TMDB00130 4,6-(Hexahydroxydiphenoyl)glucose; (S)axial-β-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl)
517-46-4
C27H22O18
634.45278
TMDB00131 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form
29106-49-8
C30H26O12
578.52024
TMDB01318 Desgalloyl theasinensin F
116403-63-5
C30H26O12
578.52024
TMDB00132 [3,3',4',5,7-Pentahydroxyflavan(4->8)]2-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,2''R,3R,3'R,3''R,4R,4'R)-form
65085-09-8
C45H38O18
866.77242
TMDB00133 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3S,3'S,4S)-form
23567-23-9
C30H26O12
578.52024
TMDB00134 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3S,3'R,4S)-form
29106-51-2
C30H26O12
578.52024
TMDB00135 1,6-Digalloylglucose; β-D-Pyranose-form
23363-08-8
C20H20O14
484.3644
TMDB00136 1,2,6-Trigalloylglucose; β-D-Pyranose-form
79886-49-0
C27H24O18
636.46866
TMDB00137 1-Galloylglucose; β-D-Pyranose-form
13405-60-2
C13H16O10
332.26014
TMDB01387 (+)-Afzelechin-3-O-gallate
Not Available
C22H18O9
426.37292
TMDB01388 Quercetin 3-glycosides; Monosaccharides, 3-O-α-L-Arabinopyranoside
22255-13-6
C20H18O11
434.35032
TMDB01425 Quinic acid; (-)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
53584-43-3
C14H16O10
344.27084
TMDB01426 Quinic acid; (-)-form, 4,5-Bis-O-(3,4,5-trihydroxybenzoyl)
53505-97-8
C21H20O14
496.3751
TMDB01427 5-O-p-Coumaroylquinic acid
87099-71-6
C16H18O8
338.30932
TMDB01428 3',4',5-Trihydroxy-7-methoxyflavone
20243-59-8
C16H12O6
300.26288
TMDB01429 3',4',7-Trihydroxy-5-methoxyflavone
58115-29-0
C16H12O6
300.26288
TMDB01430 3',4',7-Trihydroxy-5-methoxyflavone; 7-O-β-D-Glucopyranoside
58115-30-3
C22H22O11
462.40348
TMDB01431 3'-Deoxythymidine
3416-05-5
C10H14N2O5
242.22856
TMDB01432 Mevinolin
75330-75-5
C24H36O5
404.53964
TMDB01433 3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan; (7'S,8R,8'R)-form, 3',5-Di-Me ether
548-29-8
C20H24O6
360.40096
TMDB01434 1,2,4-Benzenetriol; Tri-Me ether
135-77-3
C9H12O3
168.18978
TMDB01435 4-Ethyl-1,2-benzenediol; Di-Me ether
5888-51-7
C10H14O2
166.21696
TMDB01436 Propanoic acid; Et ester
105-37-3
C5H10O2
102.1317
TMDB01437 Acenaphthylene
208-96-8
C12H8
152.19192
TMDB01438 3,4,5-Trihydroxybenzaldehyde; Tri-Me ether
86-81-7
C10H12O4
196.19988
TMDB01439 2,5-Dimethylphenol
95-87-4
C8H10O
122.1644
TMDB01440 2',5'-Dihydroxyacetophenone; 5-Me ether
705-15-7
C9H10O3
166.1739
TMDB01452 3,5-Dihydroxybenzoic acid
99-10-5
C7H6O4
154.12347
TMDB01453 3,4,5-Trihydroxybenzoic acid; Me ester
99-24-1
C8H8O5
184.14996
TMDB01454 Cinchonain Ia; 3''-Deoxy
155155-77-4
C24H20O8
436.4222
TMDB01455 Cinchonain Ia
85081-24-9
C24H20O9
452.4216
TMDB01456 1-(3,4-Dihydroxyphenyl)-1,2,3-propanetriol; (1S,2R)-form, 3'-Me ether
84822-99-1
C10H14O5
214.22008
TMDB01457 Puerin I
Not Available
C21H23NO7
401.41996
TMDB01458 Puerin II
Not Available
C21H23NO7
401.41996
TMDB01459 Puerin III
Not Available
C21H23NO7
401.41996
TMDB01460 Puerin IV
Not Available
C21H23NO7
401.41996
TMDB01461 Puerin V
Not Available
C21H23NO8
417.41936
TMDB01462 Puerin VI
Not Available
C21H23NO8
417.41936
TMDB01463 Puerin VII
Not Available
C21H23NO8
417.41936
TMDB01464 Puerin VIII
Not Available
C21H23NO8
417.41936
TMDB00016 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, 3-O-E-Cinnamoyl
108907-46-6
C24H20O8
436.4108
TMDB00018 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3-O-(4-Hydroxybenzoyl)
108907-45-5
C22H18O8
410.37352
TMDB00021 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3-O-(3,5-Dihydroxy-4-methoxybenzoyl)
108907-44-4
C23H20O10
456.3989
TMDB00211 Kaempferol 3-glycosides; Monoglycosides, 3-O-α-L-Rhamnopyranoside
482-39-3
C21H20O10
432.3775
TMDB00022 Puerin A
Not Available
C22H24O7
400.42176
TMDB00023 Puerin B
Not Available
C22H24O8
416.42116
TMDB00024 3,4',5,7-Tetrahydroxyflavan; (2R,3R)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
108907-43-3
C22H18O9
426.37292
TMDB00316 3,3',4,4'-Tetrahydroxydibenzamide
1259322-10-5
C14H11NO6
289.24024
TMDB00032 3,4',5,7-Tetrahydroxyflavan; (2R,3R)-form
24808-04-6
C15H14O5
274.26866
TMDB00354 1,3,9-Trimethyluric acid
7464-93-9
C8H10N4O3
210.19
TMDB00356 4-Hydroxybenzoic acid
99-96-7
C7H6O3
138.12074
TMDB00357 Protocatechuic acid
99-50-3
C7H6O4
154.12014
TMDB00361 Chlorogenic acid
327-97-9
C16H18O9
354.30872
TMDB00368 4-Ethyl-1,2-benzenediol; 2-Me ether
2785-89-9
C9H12O2
152.19038
TMDB00370 2,5-Dihydroxybenzoic acid
490-79-9
C7H6O4
154.12014
TMDB00371 1,3-Dihydroxybenzene
108-46-3
C6H6O2
110.11064
TMDB00372 1,2,4-Trihydroxybenzene
533-73-3
C6H6O3
126.11004
TMDB00373 4-Methylcatechol
452-86-8
C7H8O2
124.13722
TMDB00390 3,15,16,21,22,28-Hexahydroxy-12-oleanen-23-oic acid; (3β,15α,16α,21β,22α)-form, 21,22-Diangeloyl, 23-Me ester, 3-O-[α-L-arabinopyranosyl-(1->3)-6-O-methyl-β-D-glucuronopyranoside]
288153-01-5, 288153-04-8,
C53H80O20
1037.1903
TMDB00391 3,15,16,21,22,28-Hexahydroxy-12-oleanen-23-oic acid; (3β,15α,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 23-Me ester, 3-O-[α-L-arabinopyranosyl-(1->3)-6-O-methyl-β-D-glucuronopyranoside]
288153-02-6, 288153-05-9
C53H82O20
1039.20618
TMDB00392 3,15,16,21,22,28-Hexahydroxy-12-oleanen-23-oic acid; (3β,15α,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 16-Ac, 23-Me ester, 3-O-[α-L-arabinopyranosyl-(1->3)-6-O-methyl-β-D-glucuronopyranoside]
288153-03-7, 288153-06-0
C55H84O21
1081.24286
TMDB00393 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
259748-69-1
C59H92O27
1233.34558
TMDB00394 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 22-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
316157-16-1
C60H92O28
1261.35568
TMDB00395 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 28-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
316157-17-2
C60H92O28
1261.35568
TMDB00396 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 16,22-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
259748-07-7
C61H92O28
1273.36638
TMDB00397 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 16,22-di-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
316157-15-0
C62H94O29
1303.39236
TMDB00399 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 28-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
259748-14-6
C59H92O26
1217.34618
TMDB00400 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 28-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
316157-18-3
C60H92O28
1261.35568
TMDB00401 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 28-Ac, 3-O-[[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)]-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
259748-74-8
C59H92O26
1217.34618
TMDB00402 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 22-Angeloyl
200492-43-9
C35H56O6
572.81554
TMDB00404 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 22-Cinnamoyl, 16,21-di-Ac, 3-O-[β-D-galactopyranosyl-(1->2)-[α-D-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)]-β-D-glucuronopyranoside]
316157-19-4
C66H96O27
1321.45224
TMDB00405 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 23-Aldehyde, 22-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
259747-95-0
C57H88O25
1173.29362
TMDB00041 Theaflagallin
102208-15-1
C20H16O9
400.33564
TMDB00042 3-Epimer theaflagallin
102208-16-2
C20H16O9
400.33564
TMDB00043 Theaflagallin; 3-Epimer, 3-O-(3,4,5-trihydroxybenzoyl)
102067-92-5
C27H20O13
552.4399
TMDB00487 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 22-Angeloyl
200492-44-0
C35H56O7
588.81494
TMDB00518 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 22-angeloyl
200492-42-8
C35H54O7
586.79906
TMDB00656 cis-3-Hexenyl butyrate
16491-36-4
C10H18O2
170.24872
TMDB00681 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol; (E)-form, 3'-Me ether, 4'-O-β-D-glucopyranoside
531-29-3
C16H22O8
342.34108
TMDB00687 2,2',6,6'-Biphenyltetrol
4371-35-1
C12H10O4
218.2054
TMDB00071 Assamicain A
121795-66-2
C44H36O22
916.74344
TMDB00072 Assamicain B
121844-27-7
C44H36O22
916.74344
TMDB00073 Assamicain C
121795-67-3
C44H36O22
916.74344
TMDB00079 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form
68964-95-4
C30H26O14
610.51904
TMDB00081 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form, 3''-Deoxy
121958-00-7
C30H26O13
594.51964
TMDB00082 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form, 3'''-Deoxy
79199-56-7
C30H26O13
594.51964
TMDB00091 Quinic acid; (-)-form, 5-O-(3,4,5-Trihydroxybenzoyl)
17365-11-6
C14H16O10
344.27084
TMDB00984 Hexadecanoic acid; Me ester
112-39-0
C17H34O2
270.450566
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