> Benzenoids / Naphthalenes / Naphthoquinones
|
(2S,3R)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione
|
162963448 |
Click to see
CC(CC1C(C(=O)C2=C(C1=O)C(=C(C=C2O)OC)O)CO)O
|
310.30 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Benzenoids / Phenols / Benzenediols / Hydroquinones
|
Hydroquinone
|
785 |
Click to see
C1=CC(=CC=C1O)O
|
110.11 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
Ethyl butyrate
|
7762 |
Click to see
CCCC(=O)OCC
|
116.16 |
unknown |
via CMAUP database |
methyl (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E,44E,50E)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxyoctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoate
|
16109801 |
Click to see
CC(C=CCCC=CC=CC=C(C)C(=O)OC)C(C(C)C(C=CC=CC=CC=CC=CC=CCC(C(C)C(=O)CC(CC(C=CCC(CC(CC(C=CCC(CC(C=CCC(CC(CCCN)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)O
|
1190.50 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol
|
145386 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
|
296.50 |
unknown |
https://doi.org/10.1007/BF00598399 |
Rel-(7S,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
|
40467768 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
|
296.50 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
|
Gibberellin A45
|
101603116 |
Click to see
CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5O)C(=O)O)OC2=O
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(77)80029-0 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C20-gibberellins / C20-gibberellin 20-carboxylic acids
|
gibberellin A17
|
5460657 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O
|
378.40 |
unknown |
https://doi.org/10.1016/0031-9422(77)80029-0 |
Gibberellin A25
|
14464358 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)C(=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(77)80029-0 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
methyl (2S,3R,4S)-4-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
10929701 |
Click to see
COC(=O)C1=COC(C(C1CCOC(=O)C=CC2=CC(=C(C=C2)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O
|
552.50 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
|
152743363 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1007/BF00598399 |
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
|
152743364 |
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 |
https://doi.org/10.1007/BF00598399 |
15-cis-Phytoene
|
9963391 |
Click to see
CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
|
544.90 |
unknown |
https://doi.org/10.1007/BF00598399 |
alpha-Carotene
|
6419725 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1007/BF00598399 |
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 |
https://doi.org/10.1007/BF00598399 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
(1R)-4-[(1E,3E,5E,7E)-8-[(2S,3R)-3-[(1E,3E,5E,7E)-8-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-2,6-dimethylocta-1,3,5,7-tetraenyl]oxiran-2-yl]-3,7-dimethylocta-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
|
163079963 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC2C(O2)C=C(C)C=CC=C(C)C=CC3C(=CC(CC3(C)C)O)C)C)C
|
584.90 |
unknown |
https://doi.org/10.1007/BF00598399 |
(1S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
|
163001159 |
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(=CCCC2(C)C)C)C)C
|
552.90 |
unknown |
https://doi.org/10.1007/BF00598399 |
Cryptoxanthin
|
5281235 |
Click to see
CC1=C(C(CCC1)(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
|
552.90 |
unknown |
https://doi.org/10.1007/BF00598399 |
Lutein B/Calthaxanthin/3'-Epilutein
|
10210008 |
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 |
https://doi.org/10.1007/BF00598399 |
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 |
https://doi.org/10.1007/BF00598399 |
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 |
https://doi.org/10.1007/BF00598399 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Betulin
|
72326 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1080/1478641031000149821 |
Epilupeol
|
5270628 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1080/1478641031000149821 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives
|
Muricellasteroid E
|
53483753 |
Click to see
CC(C)CCC(C(C)(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OCC5=CC=C(C=C5)O)OC(=O)C
|
564.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Monohydroxy bile acids, alcohols and derivatives
|
[(2R,3R)-2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-6-methylheptan-3-yl] acetate
|
102513752 |
Click to see
CC(C)CCC(C(C)(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OC(=O)C
|
458.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 21-hydroxysteroids
|
(6alpha,11beta,16alpha)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
|
3381 |
Click to see
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C
|
452.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides
|
(8S,9S,10R,13S,14S,17S)-17-[(2R,3R,6S)-2,3-dihydroxy-6-methyl-7-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
53483752 |
Click to see
CC(CCC(C(C)(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O)COC5C(C(C(CO5)O)O)O
|
564.70 |
unknown |
via CMAUP database |
[(2R,3R,6S)-2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-6-methyl-7-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-yl] acetate
|
53483751 |
Click to see
CC(CCC(C(C)(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OC(=O)C)COC5C(C(C(CO5)O)O)O
|
606.80 |
unknown |
via CMAUP database |
[(3R,4R,5S,6R)-5-acetyloxy-6-[(2S,5R,6R)-5-acetyloxy-6-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methylheptoxy]-4-hydroxyoxan-3-yl] acetate
|
53483750 |
Click to see
CC(CCC(C(C)(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OC(=O)C)COC5C(C(C(CO5)OC(=O)C)O)OC(=O)C
|
690.90 |
unknown |
via CMAUP database |
Muricellasteroid A
|
53483704 |
Click to see
CC(CCC(C(C)(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OC(=O)C)COC5C(C(C(CO5)OC(=O)C)OC(=O)C)O
|
690.90 |
unknown |
via CMAUP database |
> Nucleosides, nucleotides, and analogues / Nucleoside and nucleotide analogues / 1-pyranosylindoles
|
tryptophan N-glucoside
|
11772967 |
Click to see
C1=CC=C2C(=C1)C(=CN2C3C(C(C(C(O3)CO)O)O)O)CC(C(=O)O)N
|
366.40 |
unknown |
https://doi.org/10.1021/JF0003146 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Alpha-halocarboxylic acids and derivatives / Alpha-halocarboxylic acid derivatives
|
Ethyl 2-bromoisobutyrate
|
11745 |
Click to see
CCOC(=O)C(C)(C)Br
|
195.05 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
|
3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
|
19423296 |
Click to see
C1=CC=C(C=C1)CC(C(=O)NCCCCN)NC(=O)C2C(O2)C(=O)O
|
349.40 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
(+)-2-Ethylhexyl acetate
|
10654786 |
Click to see
CCCCC(CC)COC(=O)C
|
172.26 |
unknown |
via CMAUP database |
Butyl Acetate
|
31272 |
Click to see
CCCCOC(=O)C
|
116.16 |
unknown |
via CMAUP database |
Hexyl Acetate
|
8908 |
Click to see
CCCCCCOC(=O)C
|
144.21 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
|
2-[(4S)-4-hydroxy-3,6-dioxodioxan-4-yl]acetic acid
|
54759166 |
Click to see
C1C(=O)OOC(=O)C1(CC(=O)O)O
|
190.11 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
|
(2R)-2-hydroxy(313C)butanedioic acid
|
10953564 |
Click to see
C(C(C(=O)O)O)C(=O)O
|
135.08 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
1,4-Dicaffeoylquinic acid
|
12358846 |
Click to see
C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
|
516.40 |
unknown |
https://doi.org/10.1021/JF00042A002 |
3-p-Coumaroylquinic acid
|
9945785 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O
|
338.31 |
unknown |
https://doi.org/10.1016/0031-9422(83)83029-5 |
Chlorogenic Acid
|
1794427 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
https://doi.org/10.1007/BF02490693 |
Isochlorogenic acid A
|
6474310 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
|
516.40 |
unknown |
https://doi.org/10.1016/0031-9422(89)80083-4 |
Neochlorogenic acid
|
5280633 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
https://doi.org/10.1016/0031-9422(83)83029-5 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
101926686 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)(CO)O
|
564.50 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
|
4984739 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
|
270.28 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol
|
14079044 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
|
402.40 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
2-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
162872354 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)(CO)O
|
564.50 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
Benzyl beta-d-glucopyranoside
|
188977 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
|
270.28 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
D-Alt(a1-2a)L-Psif
|
53301851 |
Click to see
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
|
342.30 |
unknown |
via CMAUP database |
Icariside F2
|
14079045 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)O
|
402.40 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
|
7576924 |
Click to see
C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
|
272.25 |
unknown |
via CMAUP database |
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
|
137918176 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CO)O)O)O)O)(CO)O
|
418.40 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
2-(Hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
|
346 |
Click to see
C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
|
272.25 |
unknown |
https://doi.org/10.1007/BF02490693 https://doi.org/10.1055/S-2006-959574 |
2-(Hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
|
380510 |
Click to see
COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
2-(Hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
|
3645183 |
Click to see
C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
|
162860474 |
Click to see
C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CO)O)O)O)O)(CO)O
|
418.40 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
Arbutin
|
440936 |
Click to see
C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
|
272.25 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
Gastrodin
|
115067 |
Click to see
C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
Methylarbutin
|
80131 |
Click to see
COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
https://doi.org/10.1055/S-2006-959574 |
Pyroside
|
5315513 |
Click to see
CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)O)O)O)O
|
314.29 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
|
(2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol
|
56947165 |
Click to see
C(C1C(C(C(=CO)O1)O)O)O
|
162.14 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
|
D-Glucose
|
5793 |
Click to see
C(C1C(C(C(C(O1)O)O)O)O)O
|
180.16 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
4'-Hydroxyacetophenone
|
7469 |
Click to see
CC(=O)C1=CC=C(C=C1)O
|
136.15 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Ketene acetals
|
(1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate
|
53338995 |
Click to see
C(=C(N)[O-])C=C(N)[O-]
|
114.10 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Azoles / Triazoles / Phenyltriazoles / Phenyl-1,2,4-triazoles
|
Fenchlorazole-ethyl
|
3033865 |
Click to see
CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl
|
403.50 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzofurans / Dibenzofurans
|
alpha-Pyrufuran
|
159239 |
Click to see
COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)OC)O
|
274.27 |
unknown |
https://doi.org/10.1039/P19830002267 |
beta-Pyrufuran
|
159238 |
Click to see
COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)O)OC
|
274.27 |
unknown |
https://doi.org/10.1039/P19830002267 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
|
(2R,4S)-2,4-dihydroxy-4-[(2S)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]-5-methoxy-5-oxopentanoic acid
|
90676612 |
Click to see
CC1=CC(=C2C(=C1)OC3=C(C2=O)CC(S3)C(CC(C(=O)O)O)(C(=O)OC)O)O
|
410.40 |
unknown |
via CMAUP database |
8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
|
10242936 |
Click to see
CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=O)CC3)O
|
230.22 |
unknown |
via CMAUP database |
Coniochaetone B
|
10263320 |
Click to see
CC1=CC(=C2C(=C1)OC3=C(C2=O)C(CC3)O)O
|
232.23 |
unknown |
via CMAUP database |
dimethyl (2S)-2-hydroxy-2-[(2S)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]butanedioate
|
86294773 |
Click to see
CC1=CC(=C2C(=C1)OC3=C(C2=O)CC(S3)C(CC(=O)OC)(C(=O)OC)O)O
|
394.40 |
unknown |
via CMAUP database |
Oxalicumone A
|
90676613 |
Click to see
CC1=CC(=C2C(=C1)OC3=C(C2=O)CC(S3)C(CC(C(=O)OC)O)(C(=O)OC)O)O
|
424.40 |
unknown |
via CMAUP database |
Oxalicumone C
|
122399807 |
Click to see
CC1=CC(=C2C(=C1)OC(=C(C2=O)C(C(=O)OC)O)CCC(=O)OC)O
|
350.30 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Diazanaphthalenes / Benzodiazines / Quinazolines
|
(3R)-3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
|
101995828 |
Click to see
COC1=CC2=C(C=C1)N=C3C(CCN3C2=O)O
|
232.23 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Organoheterocyclic compounds / Naphthofurans
|
[(4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,5,6,6a,7,11a-octahydronaphtho[2,1-f][1]benzofuran-5-yl] benzoate
|
162970176 |
Click to see
CC1C2C(C=C3C1=CC(=O)O3)C4(CCCC(C4(C(C2O)OC(=O)C5=CC=CC=C5)O)(C)C)C
|
452.50 |
unknown |
https://doi.org/10.1007/BF00598399 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
|
p-Coumaroylmalic acid
|
129720114 |
Click to see
C1=CC(=CC=C1C=CC(=O)C(CC(=O)O)(C(=O)O)O)O
|
280.23 |
unknown |
https://doi.org/10.1021/JF00042A002 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
4-Hydroxycinnamic acid
|
322 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1007/BF02490693 |
Caffeic Acid
|
689043 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)O
|
180.16 |
unknown |
https://doi.org/10.1007/BF02490693 |
p-Coumaric acid
|
637542 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1007/BF02490693 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins
|
(9S,10R)-9,10-Dihydro-9-hydroxy-10-tigloyloxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
|
10807381 |
Click to see
CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
|
344.40 |
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 |
https://doi.org/10.1007/BF02490693 |
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1021/JF00042A002 https://doi.org/10.1007/BF02490693 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
162845922 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1016/S0031-9422(06)80132-9 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
51402807 |
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 |
https://doi.org/10.1021/JF00042A002 |
Cacticin
|
5318644 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1016/S0031-9422(06)80132-9 |
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 |
https://doi.org/10.1021/JF00042A002 https://doi.org/10.1016/S0031-9422(06)80132-9 https://doi.org/10.1007/BF02490693 |
Vitamin P
|
5293655 |
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 |
https://doi.org/10.1016/S0031-9422(06)80132-9 https://doi.org/10.1007/BF02490693 |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 6-prenylated isoflavanones
|
5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
|
25231268 |
Click to see
CC(=CCC1=C(C=CC(=C1)C2=COC3=C4C=CC(OC4=C(C(=C3C2=O)O)CC=C(C)C)(C)C)O)C
|
472.60 |
unknown |
https://doi.org/10.1007/BF00598399 |