> Alkaloids and derivatives
|
Trigonelline
|
5570 |
Click to see
C[N+]1=CC=CC(=C1)C(=O)[O-]
|
137.14 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Aspidospermatan-type alkaloids
|
Methyl 20-methyl-8,16-diazahexacyclo[10.6.1.112,18.01,9.02,7.016,19]icosa-2,4,6-triene-10-carboxylate
|
5316748 |
Click to see
CC1C2CN3CCCC14C3C25C(C(C4)C(=O)OC)NC6=CC=CC=C56
|
338.40 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
Methyl 2,4,6-trihydroxybenzoate
|
76600 |
Click to see
COC(=O)C1=C(C=C(C=C1O)O)O
|
184.15 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
dimethyl (Z)-2-[(3S,4R)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]but-2-enedioate
|
6444297 |
Click to see
COC(=O)C=C(C1C(OC(=O)C2=CC(=C(C(=C12)O)O)O)C(=O)OC)C(=O)OC
|
396.30 |
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 |
https://doi.org/10.1016/0031-9422(73)85145-3 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
Methyl gallate
|
7428 |
Click to see
COC(=O)C1=CC(=C(C(=C1)O)O)O
|
184.15 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Phenoxyacetic acid derivatives / Chlorophenoxyacetates
|
2,4-Dichlorophenoxyacetic Acid
|
1486 |
Click to see
C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
|
221.03 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Lignan lactones
|
(8S,16S)-4,5-dimethoxy-2,17-dioxa-9-azapentacyclo[19.2.2.13,7.18,16.09,14]heptacosa-1(23),3,5,7(27),21,24-hexaen-18-one
|
5319697 |
Click to see
COC1=CC2=CC(=C1OC)OC3=CC=C(CCC(=O)OC4CC5CCCCN5C2C4)C=C3
|
437.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Colensane and clerodane diterpenoids
|
(1S,4aR,5S)-5-(2-Furan-3-yl-ethyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid methyl ester
|
10664197 |
Click to see
CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)OC
|
330.50 |
unknown |
via CMAUP database |
Lambertiainc Acid
|
11869599 |
Click to see
CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)O
|
316.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Taxanes and derivatives
|
[(2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10-tetraacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
|
5316416 |
Click to see
CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C
|
578.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
Beta-Carotene
|
5280489 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
|
536.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
all-trans-Neoxanthin
|
5281247 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C
|
600.90 |
unknown |
via CMAUP database |
Lutein
|
5281243 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
via CMAUP database |
Violaxanthin
|
448438 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
via CMAUP database |
Zeaxanthin
|
5280899 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1S,2S,4R,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
|
99565183 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
via CMAUP database |
Diosgenin
|
99474 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
via CMAUP database |
Gitogenin
|
441887 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1
|
432.60 |
unknown |
via CMAUP database |
Tigogenin
|
99516 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
|
416.60 |
unknown |
via CMAUP database |
Yamogenin
|
441900 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
|
414.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
|
3-[(3S,5R,8R,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
6325039 |
Click to see
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3=CC(=O)C5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O
|
530.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
101400564 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O
|
903.10 |
unknown |
via CMAUP database |
Asparasaponin I
|
441899 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
|
1049.20 |
unknown |
via CMAUP database |
Dioscin
|
119245 |
Click to see
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
|
869.00 |
unknown |
via CMAUP database |
Protodioscin
|
441891 |
Click to see
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
|
1049.20 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
|
Arginine
|
6322 |
Click to see
C(CC(C(=O)O)N)CN=C(N)N
|
174.20 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
|
(2R)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoate
|
6971048 |
Click to see
C1=C(NC=N1)CC(C(=O)[O-])[NH3+]
|
155.15 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
|
(2R,3S,4R)-2-azaniumyl-4-hydroxy-3-methylpentanoate
|
26082623 |
Click to see
CC(C(C)O)C(C(=O)[O-])[NH3+]
|
147.17 |
unknown |
via CMAUP database |
(2S,3S,4R)-2-Amino-3-methyl-4-hydroxyvaleric acid
|
11194416 |
Click to see
CC(C(C)O)C(C(=O)O)N
|
147.17 |
unknown |
via CMAUP database |
(4R)-4-hydroxy-L-isoleucine
|
6993179 |
Click to see
CC(C(C)O)C(C(=O)[O-])[NH3+]
|
147.17 |
unknown |
via CMAUP database |
2-ammonio-2,3,5-trideoxy-3-methyl-L-ribonate
|
40561613 |
Click to see
CC(C(C)O)C(C(=O)[O-])[NH3+]
|
147.17 |
unknown |
via CMAUP database |
> Organic nitrogen compounds / Organonitrogen compounds / N-organohydroxylamines
|
Trogoxazonane
|
23727687 |
Click to see
CCCCN1COCCOCCO1
|
189.25 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
Decanal
|
8175 |
Click to see
CCCCCCCCCC=O
|
156.26 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Thiamines
|
3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium
|
1130 |
Click to see
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
|
265.36 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyranopyridines
|
Gentianine
|
354616 |
Click to see
C=CC1=CN=CC2=C1CCOC2=O
|
175.18 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Aminoquinolines and derivatives / 4-aminoquinolines
|
Dequalinium
|
2993 |
Click to see
CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C
|
456.70 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
Grossamide
|
101262727 |
Click to see
COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)C=CC(=O)NCCC5=CC=C(C=C5)O
|
624.70 |
unknown |
https://doi.org/10.1016/0031-9422(73)85145-3 |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
Trigoforin
|
12267346 |
Click to see
CC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C
|
188.22 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
Naringenin
|
439246 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
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 |
https://doi.org/10.1002/CJOC.201090191 |
Apigenin-7-olate
|
25200950 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-])O
|
269.23 |
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 |
https://doi.org/10.1002/CJOC.201090191 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
|
Delphinidin 3-glucosylglucoside
|
5316496 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O
|
627.50 |
unknown |
via CMAUP database |
Petunidin 3-glucoside
|
443651 |
Click to see
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O
|
479.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides
|
Isoorientin
|
114776 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
|
Orientin-2''-O-p-trans-coumarate
|
102004864 |
Click to see
C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O
|
594.50 |
unknown |
via CMAUP database |
Vicenin-1
|
13644663 |
Click to see
C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O
|
564.50 |
unknown |
via CMAUP database |
Vitexin
|
5280441 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
(2R,3R,4S,5R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
|
5316494 |
Click to see
C1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O
|
435.40 |
unknown |
via CMAUP database |
(3S,4R,5R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
|
123872652 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O
|
463.40 |
unknown |
https://doi.org/10.1016/0031-9422(73)85145-3 |
Delphinidin 3-arabinoside cation
|
12137508 |
Click to see
C1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O
|
435.40 |
unknown |
https://doi.org/10.1016/0031-9422(73)85145-3 |
Panasenoside
|
9986191 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
Petunidin 3-arabinoside cation
|
6325802 |
Click to see
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O
|
449.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
|
101158756 |
Click to see
CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
|
814.70 |
unknown |
via CMAUP database |
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
12960455 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
|
788.70 |
unknown |
via CMAUP database |
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
12960461 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O
|
772.70 |
unknown |
via CMAUP database |
Tricin 7-glucoside
|
5322022 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
|
492.40 |
unknown |
via CMAUP database |
Vitexin 7-glucoside
|
101406316 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
|
594.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
Tricin
|
5281702 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
330.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
6,7-Methylenedioxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
|
21270126 |
Click to see
C1OC2=C(O1)C=C3C(=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O
|
282.25 |
unknown |
via CMAUP database |
Daidzein
|
5281708 |
Click to see
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
|
254.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 3-O-methylated isoflavonoids / 3-O-methylisoflavones
|
3',5,7-Trihydroxy-5'-methoxyisoflavone
|
91203449 |
Click to see
COC1=CC(=CC(=C1)O)C2=COC3=CC(=CC(=C3C2=O)O)O
|
300.26 |
unknown |
via CMAUP database |
Piscigenin
|
15689643 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=COC3=CC(=CC(=C3C2=O)O)O
|
330.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 3-hydroxy,4-methoxyisoflavonoids
|
Calycosin
|
5280448 |
Click to see
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
|
284.26 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 4-O-methylisoflavones
|
Biochanin A
|
5280373 |
Click to see
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
|
284.26 |
unknown |
via CMAUP database |
Formononetin
|
5280378 |
Click to see
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
|
268.26 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Macrolides and analogues
|
(17S)-6,9-dihydroxy-5-methoxy-16-oxa-23-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
|
5316425 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4C3NCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O
|
423.50 |
unknown |
via CMAUP database |
(17S)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
5316415 |
Click to see
COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
via CMAUP database |
(17S)-9-hydroxy-5,6-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
|
5318920 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
via CMAUP database |
(1S,17S,19R)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
42640298 |
Click to see
COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)CCC5=CC(=C(C=C5)O)C2=C1)O
|
423.50 |
unknown |
https://doi.org/10.1021/NP800619G |
(1S,17S,19R)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
|
162899281 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O
|
423.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
(1S,17S,19R)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
21603989 |
Click to see
COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
(1S,17S,19S)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
42640297 |
Click to see
COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)CCC5=CC(=C(C=C5)O)C2=C1)O
|
423.50 |
unknown |
https://doi.org/10.1021/NP800619G |
(1S,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
|
21603988 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O
|
423.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
(1S,18S,20R)-10-hydroxy-6-methoxy-8,17-dioxa-25-azapentacyclo[16.7.1.19,13.02,7.020,25]heptacosa-2(7),3,5,9,11,13(27)-hexaen-16-one
|
163001184 |
Click to see
COC1=CC=CC2=C1OC3=C(C=CC(=C3)CCC(=O)OC4CC5CCCCN5C2C4)O
|
423.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
(9S,15R,17S)-4-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3(8),4,6,22,25-hexaen-19-one
|
101473393 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)O
|
423.50 |
unknown |
https://doi.org/10.1021/NP800619G |
(9S,15S,17R)-4-hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3(8),4,6,22,25-hexaen-19-one
|
154496866 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)O
|
423.50 |
unknown |
https://doi.org/10.1021/NP800619G |
10-Hydroxy-6-methoxy-8,17-dioxa-25-azapentacyclo[16.7.1.19,13.02,7.020,25]heptacosa-2(7),3,5,9,11,13(27)-hexaen-16-one
|
163001183 |
Click to see
COC1=CC=CC2=C1OC3=C(C=CC(=C3)CCC(=O)OC4CC5CCCCN5C2C4)O
|
423.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
20H-6,20-Methano-11,15-metheno-1H,8H-benzo[g]pyrido[2,1-d][1,5]oxaazacyclohexadecin-8-one, 2,3,4,4a,5,6,9,10-octahydro-14-hydroxy-16,17-dimethoxy-, (4aR,6S,20S)-
|
162883946 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
4-Hydroxy-5-methoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3(8),4,6,22,25-hexaen-19-one
|
163006093 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)O
|
423.50 |
unknown |
https://doi.org/10.1021/NP800619G |
4,9-Dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
74834390 |
Click to see
COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)CCC5=CC(=C(C=C5)O)C2=C1)O
|
423.50 |
unknown |
https://doi.org/10.1021/NP800619G |
6,9-Dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26)-hexaen-15-one
|
5316747 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)O
|
423.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
9-Hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one
|
73799197 |
Click to see
COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
Carpaine
|
442630 |
Click to see
CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C
|
478.70 |
unknown |
via CMAUP database |
CID 21603987
|
21603987 |
Click to see
COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
Lagerstroemine
|
78385190 |
Click to see
COC1=C(C2=C(C=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
|
437.50 |
unknown |
https://doi.org/10.1021/JA00741A023 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
Ellagic Acid
|
5281855 |
Click to see
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
|
302.19 |
unknown |
https://doi.org/10.1016/0031-9422(73)85145-3 |
Schisandrin
|
3001664 |
Click to see
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
|
432.50 |
unknown |
via CMAUP database |