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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
TMDB01076 4-Methyl-1,2-benzenediol; Di-Me ether
494-99-5
C9H12O2
152.19038
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
TMDB01079 1,2,3-Trimethoxy-5-Ethylbenzene
Not Available
C11H16O3
196.24294
TMDB00108 1,4,6-Trigalloylglucose; β-D-Pyranose-form
94513-58-3
C27H24O18
636.46866
TMDB01086 Dibenzofuran
132-64-9
C12H8O
168.19132
TMDB01100 1H-Pyrrole-2-carboxaldehyde; N-Et
2167-14-8
C7H9NO
123.15246
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
TMDB01198 Chlorophyll a; 3'-Parent acid
14897-06-4
C35H34MgN4O5
614.97326
TMDB01199 Chlorophyll b; 3'-Free acid
14428-12-7
C35H32MgN4O6
628.95678
TMDB01200 Phaeophytin a
603-17-8
C55H74N4O5
871.19986
TMDB01201 Phaeophytin b
3147-18-0
C55H72N4O6
885.18338
TMDB01202 Phaeophorbide a
15664-29-6
C35H36N4O5
592.68414
TMDB01203 Phaeophorbide b
20239-99-0
C35H34N4O6
606.66766
TMDB01204 Pyrophaeophorbide a; 3,7R,5,11R-Tetramethyl-2E-hexadecenyl ester
14409-87-1
C53H72N4O3
813.16378
TMDB01205 Pyrophaeophorbide a; 33-Oxo, 3,7R,5,11R-tetramethyl-2E-hexadecenyl ester
77331-75-0
C53H70N4O4
827.1473
TMDB01206 Auroxanthin
27785-15-5
C40H56O4
600.87024
TMDB01207 Pyrophaeophorbide a; 33-Oxo
82040-65-1
C33H32N4O4
548.63158
TMDB01272 Vitexin; 2''-β-D-Glucopyranosyl
61360-94-9
C27H30O15
594.5181
TMDB01280 3,3',4',5,7-Pentahydroxyflavan; (2R,3S)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
25615-05-8
C22H18O10
442.37232
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
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
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
TMDB00159 3,3',4',5,5',7-Hexahydroxyflavanone; (2RS,3RS)-form
119565-96-7, 27200-12-0
C15H12O8
320.25098
TMDB00208 Isoschaftoside
52012-29-0
C26H28O14
564.49212
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
TMDB00316 3,3',4,4'-Tetrahydroxydibenzamide
1259322-10-5
C14H11NO6
289.24024
TMDB00354 1,3,9-Trimethyluric acid
7464-93-9
C8H10N4O3
210.19
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
TMDB00687 2,2',6,6'-Biphenyltetrol
4371-35-1
C12H10O4
218.2054
TMDB00071 Assamicain A
121795-66-2
C44H36O22
916.74344
TMDB00724 β-Pinene
127-91-3
C10H16
136.23404
TMDB00762 Tetradecane
629-59-4
C14H30
198.388
TMDB00763 Pentadecane
629-62-9
C15H32
212.41458
TMDB00984 Hexadecanoic acid; Me ester
112-39-0
C17H34O2
270.450566
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