> Benzenoids / Anthracenes / Anthracenecarboxylic acids and derivatives / Anthracenecarboxylic acids
|
Rhein
|
10168 |
Click to see
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
|
284.22 |
unknown |
via CMAUP database |
> Benzenoids / Anthracenes / Anthraquinones
|
Anthraquinone
|
6780 |
Click to see
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
|
208.21 |
unknown |
via CMAUP database |
Chrysophanic acid
|
10208 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
|
254.24 |
unknown |
via CMAUP database |
Fallacinol
|
3083633 |
Click to see
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
|
300.26 |
unknown |
via CMAUP database |
Physcion 8-glucoside
|
5319323 |
Click to see
CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC
|
446.40 |
unknown |
via CMAUP database |
Physcione
|
10639 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC
|
284.26 |
unknown |
via CMAUP database |
Rheochrysin
|
168938 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC
|
446.40 |
unknown |
via CMAUP database |
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
|
Citreorosein
|
361512 |
Click to see
C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO
|
286.24 |
unknown |
via CMAUP database |
Emodin
|
3220 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
|
270.24 |
unknown |
via CMAUP database |
Emodin 1-O-beta-D-glucoside
|
5319333 |
Click to see
CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O
|
432.40 |
unknown |
via CMAUP database |
Emodin-8-glucoside
|
99649 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
Questin
|
160717 |
Click to see
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC)O
|
284.26 |
unknown |
via CMAUP database |
Questinol
|
147621 |
Click to see
COC1=CC(=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)CO)O
|
300.26 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
|
Gallic Acid
|
370 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)O
|
170.12 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
|
2,6-Dihydroxybenzoic acid
|
9338 |
Click to see
C1=CC(=C(C(=C1)O)C(=O)O)O
|
154.12 |
unknown |
via CMAUP database |
> Benzenoids / Naphthalenes / Naphthoquinones
|
2-Methoxystypandrone
|
158739 |
Click to see
CC1=CC2=C(C(=O)C=C(C2=O)OC)C(=C1C(=O)C)O
|
260.24 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Villanovane, atisane, trachylobane or helvifulvane diterpenoids / Atisane diterpenoids
|
(1R,2S,4R,6R,7R,10S,11S,12S)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
|
162895227 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)CN6C2OCC6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00599292 |
(1R,2S,4S,6R,7S,10S)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
|
122212724 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)CN6C2OCC6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00580053 |
(1S,2R,4R,6R,7R,10R,11S,17R)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol
|
162923620 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00599292 |
(1S,2R,4R,6R,7R,10S,11S,12S)-11-methyl-5-methylidene-14-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
|
163106227 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)CN6C2COC6
|
343.50 |
unknown |
https://doi.org/10.1016/0040-4020(78)88367-7 |
[(1R,2S,3S,5R,8R,9S,10R,11S,14R,16S,17R,18R,19S)-2,19-diacetyloxy-10-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate
|
162877893 |
Click to see
CC(=O)OC1C2C(C3C4C56C1C3(CC7C5C(CC(C6OC(=O)C)OC(=O)C8=CC=CC=C8)(CN74)C)CC2=C)O
|
533.60 |
unknown |
https://doi.org/10.1007/BF00630652 |
11-Methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol
|
4481626 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00599292 |
5H,12H-2,4a-Ethano-7,12a-propano-2H-benz(h)oxazolo(3,2-b)isoquinolin-4-ol, decahydro-7-methyl-3-methylene-
|
493986 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)CN6C2OCC6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00599292 |
Anthorine
|
441709 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00580053 |
Atidine
|
12299861 |
Click to see
CC12CCCC3(C1CC(=O)C45C3CC(CC4)C(=C)C5O)CN(C2)CCO
|
359.50 |
unknown |
https://doi.org/10.1007/BF00631021 |
Atisine, azomethine
|
347390 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C=NC2
|
299.40 |
unknown |
https://doi.org/10.1007/BF00631021 |
N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine
|
13892203 |
Click to see
CC12CCCC34C1C5CC67C3CC(CC6C4N5C2)C(=C7)COC8=CC=C(C=C8)CCN(C)C
|
444.70 |
unknown |
https://doi.org/10.1007/BF00600835 |
Unii-V81K1mmx3X
|
135897293 |
Click to see
CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6
|
343.50 |
unknown |
https://doi.org/10.1007/BF00580053 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Villanovane, atisane, trachylobane or helvifulvane diterpenoids / Atisane diterpenoids / Hetisine-type diterpenoid alkaloids
|
(2,19-Diacetyloxy-10-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) benzoate
|
73816191 |
Click to see
CC(=O)OC1C2C(C3C4C56C1C3(CC7C5C(CC(C6OC(=O)C)OC(=O)C8=CC=CC=C8)(CN74)C)CC2=C)O
|
533.60 |
unknown |
https://doi.org/10.1007/BF00630652 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron
|
88113319 |
Click to see
[H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O
|
192.12 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
|
(2S)-2-Hydroxybutanedioic acid
|
222656 |
Click to see
C(C(C(=O)O)O)C(=O)O
|
134.09 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
1-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
|
71593490 |
Click to see
CC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O
|
330.29 |
unknown |
via CMAUP database |
Tachioside
|
11962143 |
Click to see
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
|
302.28 |
unknown |
via CMAUP database |
Torachrysone 8-O-Glucoside
|
11972479 |
Click to see
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
|
408.40 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
|
L-Tartaric acid
|
444305 |
Click to see
C(C(C(=O)O)O)(C(=O)O)O
|
150.09 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
|
7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one
|
5316891 |
Click to see
CC1=CC(=CC2=C1C(=O)C=C(O2)C)O
|
190.19 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
|
8-(1H-Indol-3-ylmethyl)-4,4a-dimethyl-7-methylene-8a-(4-methyl-3-pentenyl)decahydro-1-naphthalenol
|
494725 |
Click to see
CC1CCC(C2(C1(CCC(=C)C2CC3=CNC4=CC=CC=C43)C)CCC=C(C)C)O
|
405.60 |
unknown |
https://doi.org/10.1007/BF00580053 |
CID 11969862
|
11969862 |
Click to see
CC1CCC(C2(C1(CCC(=C)C2CC3=CNC4=CC=CC=C43)C)CCC=C(C)C)O
|
405.60 |
unknown |
https://doi.org/10.1007/BF00580053 |
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
|
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
|
6923516 |
Click to see
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+]
|
204.22 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
|
Reticulin
|
10233 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1007/BF00580053 |
Reticuline
|
439653 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1016/0031-9422(74)85128-9 https://doi.org/10.1007/BF00580053 |
> Organoheterocyclic compounds / Quinolidines
|
(1S,6S,9S,10R,14R,17S,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1~2,6~.0~1,11~.0~3,9~.0~14,18~]icosan-4-one (non-preferred name)
|
139292165 |
Click to see
CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C
|
391.50 |
unknown |
https://doi.org/10.1016/0031-9422(74)85128-9 |
CID 25084349
|
25084349 |
Click to see
CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C
|
391.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
7-Hydroxy-4-methoxy-5-methylchromen-2-one
|
5318268 |
Click to see
CC1=CC(=CC2=C1C(=CC(=O)O2)OC)O
|
206.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids
|
[(1S,8S,9R,11S,17R,18R,19S)-17-(3,4-dihydroxyphenyl)-3,11-dihydroxy-9-(4-hydroxyphenyl)-13-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,16-dioxapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2(7),3,5,14-tetraen-18-yl] 3,4,5-trihydroxybenzoate
|
72195698 |
Click to see
C1C(=O)C=C2C34C1(OC(C3C5=C(C4C(C(O2)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)C(=CC(=C5)OC8C(C(C(C(O8)CO)O)O)O)O)C9=CC=C(C=C9)O)O
|
846.70 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
(+)-Catechin 5-O-beta-D-glucopyranoside
|
6324898 |
Click to see
C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
|
452.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Guaijaverin
|
5481224 |
Click to see
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |
Isoquercetin
|
5280804 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
via CMAUP database |
Quercetin 3-O-beta-D-xylopyranoside
|
5320861 |
Click to see
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |
Quercetin-3-o-rutinose
|
46936193 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
Quercitrin
|
5280459 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
Rutin
|
5280805 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
Luteolin 7-O-glucoside
|
5280637 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Stilbenes
|
(Z)-resveratrol
|
1548910 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
|
228.24 |
unknown |
via CMAUP database |
Resveratrol
|
445154 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
|
228.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides
|
(2R,3S,4R,5R,6S)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
71528811 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
|
390.40 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(1R,2S)-1-hydroxy-2-[4-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-hydroxyphenyl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
21586804 |
Click to see
C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C(C4=CC=C(C=C4)O)C(C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O
|
796.80 |
unknown |
via CMAUP database |
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
73642 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
|
390.40 |
unknown |
via CMAUP database |
(E)-Resveratrol 3-(6''-galloyl)-O-beta-D-glucopyranoside
|
11330189 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O
|
542.50 |
unknown |
via CMAUP database |
2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
|
5321884 |
Click to see
C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
406.40 |
unknown |
via CMAUP database |
5,5'-[(1S)-3beta,4alpha-Bis(4-hydroxyphenyl)cyclobutane-1alpha,2beta-diyl]bis[3-(beta-D-glucopyranosyloxy)phenol]
|
10327899 |
Click to see
C1=CC(=CC=C1C2C(C(C2C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)C7=CC=C(C=C7)O)O
|
780.80 |
unknown |
via CMAUP database |
cis-Piceid
|
10178463 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
|
390.40 |
unknown |
via CMAUP database |
Piceatannol 3'-O-glucoside
|
11968990 |
Click to see
C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
406.40 |
unknown |
via CMAUP database |
Piceid
|
5281718 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
|
390.40 |
unknown |
via CMAUP database |
Resveratroloside
|
5322089 |
Click to see
C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
|
390.40 |
unknown |
via CMAUP database |