|
> Benzenoids / Benzene and substituted derivatives
|
|
(S)-Mandelonitrile
|
439767 |
Click to see
C1=CC=C(C=C1)C(C#N)O
|
133.15 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
|
|
(2R)-2-methylbutanoic acid
|
6950479 |
Click to see
|
102.13 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
|
Eicosanoic Acid
|
10467 |
Click to see
|
312.50 |
unknown |
via CMAUP database |
|
Myristic Acid
|
11005 |
Click to see
|
228.37 |
unknown |
via CMAUP database |
|
Palmitoleic Acid
|
445638 |
Click to see
CCCCCCC=CCCCCCCCC(=O)O
|
254.41 |
unknown |
via CMAUP database |
|
Stearic Acid
|
5281 |
Click to see
|
284.50 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
|
2-Hexen-1-OL
|
5318042 |
Click to see
CCCC=CCO
|
100.16 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
|
Linoleic Acid
|
5280450 |
Click to see
|
280.40 |
unknown |
via CMAUP database |
|
Linolenic Acid
|
5280934 |
Click to see
|
278.40 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
|
Citral
|
638011 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
Linalool, (-)-
|
443158 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
|
P-Cymene
|
7463 |
Click to see
|
134.22 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
|
(+)-alpha-Terpineol
|
442501 |
Click to see
|
154.25 |
unknown |
via CMAUP database |
|
Terpinolene
|
11463 |
Click to see
|
136.23 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
|
I2-Ionone
|
638014 |
Click to see
|
192.30 |
unknown |
via CMAUP database |
|
Vomifoliol, (+)-
|
5280462 |
Click to see
|
224.30 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
|
(1R,3S)-1-[[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
|
162916886 |
Click to see
|
574.60 |
unknown |
https://doi.org/10.1021/NP020554A |
|
(1S,3S)-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
|
163194024 |
Click to see
COC(=O)C1=COC(C(C1CC2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)C=C)OC5C(C(C(C(O5)CO)O)O)O
|
574.60 |
unknown |
https://doi.org/10.1021/NP020554A |
|
(2S)-3alpha-Ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-4alpha-[[(1S,3R)-2,3,4,9-tetrahydro-3-carboxy-1H-pyrido[3,4-b]indol-1-yl]methyl]-2H-pyran-5-carboxylic acid 5-methyl ester
|
53463172 |
Click to see
COC(=O)C1=COC(C(C1CC2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)C=C)OC5C(C(C(C(O5)CO)O)O)O
|
574.60 |
unknown |
https://doi.org/10.1021/NP020554A |
|
methyl (2R,3S,4S)-3-ethenyl-4-[2-[(1S)-1-[[(2R,3S,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
163094487 |
Click to see
|
902.90 |
unknown |
https://doi.org/10.1021/NP020554A |
|
methyl (2S,3R,4R)-3-ethenyl-4-[2-[(1R)-1-[[(2S,3S,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
163094488 |
Click to see
COC(=O)C1=COC(C(C1CCN2CCC3=C(C2CC4C(C(OC=C4C(=O)OC)OC5C(C(C(C(O5)CO)O)O)O)C=C)NC6=CC=CC=C36)C=C)OC7C(C(C(C(O7)CO)O)O)O
|
902.90 |
unknown |
https://doi.org/10.1021/NP020554A |
|
methyl (2S,3R,4S)-3-ethenyl-4-[2-[(1R)-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
101253711 |
Click to see
COC(=O)C1=COC(C(C1CCN2CCC3=C(C2CC4C(C(OC=C4C(=O)OC)OC5C(C(C(C(O5)CO)O)O)O)C=C)NC6=CC=CC=C36)C=C)OC7C(C(C(C(O7)CO)O)O)O
|
902.90 |
unknown |
https://doi.org/10.1021/NP020554A |
|
methyl (2S,3R,4S)-3-ethenyl-4-[2-[(1S)-1-[[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
101253710 |
Click to see
|
902.90 |
unknown |
https://doi.org/10.1021/NP020554A |
|
methyl 3-ethenyl-4-[2-[1-[[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
73802246 |
Click to see
|
902.90 |
unknown |
https://doi.org/10.1021/NP020554A |
|
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
|
Flavoxanthin
|
5281238 |
Click to see
|
584.90 |
unknown |
via CMAUP database |
|
Rubixanthin
|
5281252 |
Click to see
|
552.90 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
|
alpha-Amyrin acetate
|
92842 |
Click to see
|
468.80 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Estrane steroids / Estrogens and derivatives
|
|
(8S,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
|
670995 |
Click to see
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
|
270.40 |
unknown |
via CMAUP database |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
|
Poriferasterol
|
5281330 |
Click to see
|
412.70 |
unknown |
via CMAUP database |
|
Stigmasteryl-beta-d-glucopyranoside
|
12895774 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
574.80 |
unknown |
via CMAUP database |
|
> 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 oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glucuronides / O-glucuronides
|
|
beta-D-GlcpA-(1->6)-beta-D-Galp
|
70680285 |
Click to see
C(C1C(C(C(C(O1)O)O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O
|
356.28 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Cyanogenic glycosides
|
|
Amygdalin
|
656516 |
Click to see
|
457.40 |
unknown |
via CMAUP database |
|
Neoamygdalin
|
441462 |
Click to see
|
457.40 |
unknown |
via CMAUP database |
|
Prunasin
|
119033 |
Click to see
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O
|
295.29 |
unknown |
via CMAUP database |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
|
|
2-Nonenal
|
5283335 |
Click to see
CCCCCCC=CC=O
|
140.22 |
unknown |
via CMAUP database |
|
2,4-Decadienal
|
5283349 |
Click to see
|
152.23 |
unknown |
via CMAUP database |
|
Hexanal
|
6184 |
Click to see
|
100.16 |
unknown |
via CMAUP database |
|
trans-2-Hexenal
|
5281168 |
Click to see
|
98.14 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Indoles and derivatives / Pyridoindoles / Beta carbolines
|
|
(1S,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
|
159304057 |
Click to see
C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4
|
498.50 |
unknown |
https://doi.org/10.1021/NP020554A |
|
3-epi-Vincosamide; Isovincoside lactam; Strictosidine lactam
|
5015264 |
Click to see
|
498.50 |
unknown |
https://doi.org/10.1021/NP020554A |
|
Angustine
|
441983 |
Click to see
|
313.40 |
unknown |
https://doi.org/10.1021/NP020554A |
|
Isovallesiachotamine
|
6442678 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP020554A |
|
Methyl 2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
|
4240866 |
Click to see
|
350.40 |
unknown |
https://doi.org/10.1021/NP020554A |
|
Strictosamide
|
10345799 |
Click to see
|
498.50 |
unknown |
https://doi.org/10.1021/NP020554A |
|
Vallesiachotamine
|
5384527 |
Click to see
CC=C(C=O)C1CC2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3
|
350.40 |
unknown |
https://doi.org/10.1021/NP020554A |
|
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
|
(5S)-5-butyloxolan-2-one
|
7057972 |
Click to see
CCCCC1CCC(=O)O1
|
142.20 |
unknown |
via CMAUP database |
|
(R)-gamma-Decalactone
|
183870 |
Click to see
|
170.25 |
unknown |
via CMAUP database |
|
Gamma-dodecalactone, (R)-
|
10888889 |
Click to see
|
198.30 |
unknown |
via CMAUP database |
|
> Organoheterocyclic compounds / Tetrahydrofurans
|
|
Linalool oxide, cis-
|
6428573 |
Click to see
|
170.25 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
|
(1S,5R,6S,13R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
5317050 |
Click to see
|
544.50 |
unknown |
via CMAUP database |
|
(1S,5S,6R,13R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
73353883 |
Click to see
|
544.50 |
unknown |
via CMAUP database |
|
(1S,5S,6S,13R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
5317051 |
Click to see
|
544.50 |
unknown |
via CMAUP database |
|
[(1S,5R,6R,13R,21S)-6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 4-hydroxybenzoate
|
10723070 |
Click to see
|
664.60 |
unknown |
via CMAUP database |
|
Mahuannin A
|
5317052 |
Click to see
|
544.50 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
|
Kaempferol
|
5280863 |
Click to see
|
286.24 |
unknown |
via CMAUP database |
|
Quercetin
|
5280343 |
Click to see
|
302.23 |
unknown |
via CMAUP database |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
|
Isoquercetin
|
5280804 |
Click to see
|
464.40 |
unknown |
via CMAUP database |
|
Rutin
|
5280805 |
Click to see
|
610.50 |
unknown |
via CMAUP database |