> Alkaloids and derivatives
|
Piperine
|
638024 |
Click to see
C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
|
285.34 |
unknown |
https://doi.org/10.1016/0031-9422(74)80272-4 |
> Alkaloids and derivatives / Aristolactams
|
Piperolactam A
|
3081016 |
Click to see
COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)O
|
265.26 |
unknown |
https://doi.org/10.1016/0031-9422(88)80226-7 |
Piperolactam D
|
14039008 |
Click to see
COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
|
295.29 |
unknown |
https://doi.org/10.1021/NP50068A036 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
|
[(1S,2S,3R,6R)-3-benzoyloxy-2-hydroxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
|
11111323 |
Click to see
C1=CC=C(C=C1)C(=O)OCC23C(O2)C=CC(C3O)OC(=O)C4=CC=CC=C4
|
366.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88579-9 |
Benzyl Benzoate
|
2345 |
Click to see
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
|
212.24 |
unknown |
via CMAUP database |
Crotepoxide
|
161314 |
Click to see
CC(=O)OC1C2C(O2)C3C(C1OC(=O)C)(O3)COC(=O)C4=CC=CC=C4
|
362.30 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00208-8 https://doi.org/10.1016/S0031-9422(00)88579-9 https://doi.org/10.1016/S0031-9422(00)86541-3 |
Pipoxide chlorohydrin
|
100854335 |
Click to see
C1=CC=C(C=C1)C(=O)OCC2(C(C=CC(C2O)OC(=O)C3=CC=CC=C3)Cl)O
|
402.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88579-9 https://doi.org/10.1016/0031-9422(91)85070-G |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters
|
Methyl Salicylate
|
4133 |
Click to see
COC(=O)C1=CC=CC=C1O
|
152.15 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
|
3-Methoxybenzaldehyde
|
11569 |
Click to see
COC1=CC=CC(=C1)C=O
|
136.15 |
unknown |
via CMAUP database |
Benzaldehyde
|
240 |
Click to see
C1=CC=C(C=C1)C=O
|
106.12 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
|
Benzyl acetate
|
8785 |
Click to see
CC(=O)OCC1=CC=CC=C1
|
150.17 |
unknown |
via CMAUP database |
> Benzenoids / Phenol esters
|
Eugenol acetate
|
7136 |
Click to see
CC(=O)OC1=C(C=C(C=C1)CC=C)OC
|
206.24 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
|
4-Allylphenol
|
68148 |
Click to see
C=CCC1=CC=C(C=C1)O
|
134.17 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / Methoxyphenols
|
2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
|
9984 |
Click to see
COC1=C(C=CC(=C1)C=CC=O)O
|
178.18 |
unknown |
via CMAUP database |
Eugenol
|
3314 |
Click to see
COC1=C(C=CC(=C1)CC=C)O
|
164.20 |
unknown |
via CMAUP database |
Vanillin
|
1183 |
Click to see
COC1=C(C=CC(=C1)C=O)O
|
152.15 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
(1S,4Z,8R)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
|
18502770 |
Click to see
CC1=CCC(=C)C2CC(C2CC1)(C)C
|
190.32 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,7-epoxylignans
|
2,5-Bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane
|
609882 |
Click to see
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C
|
372.50 |
unknown |
https://doi.org/10.1016/0031-9422(91)85070-G https://doi.org/10.1016/S0031-9422(00)88579-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
Tetratriacontanoic acid
|
94485 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
|
508.90 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86541-3 https://doi.org/10.1016/S0031-9422(00)88579-9 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
8-Hentriacontanol
|
15693543 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCC)O
|
452.80 |
unknown |
https://doi.org/10.1016/0031-9422(91)85070-G |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
via CMAUP database |
beta-Humulene
|
5318102 |
Click to see
CC1=CCC(C=CCC(=C)CCC1)(C)C
|
204.35 |
unknown |
via CMAUP database |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
via CMAUP database |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
9-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-6,10,14,15,21,21-hexamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
56671304 |
Click to see
CC1(CCC23CCC4(C5(CCC6C(C5C7C(C4(C2C1)OC3=O)O7)(CCC(C6(C)CO)OC8C(C(C(CO8)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)C
|
780.90 |
unknown |
https://doi.org/10.1016/0031-9422(74)80272-4 |
Oleanolic Acid
|
10494 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88579-9 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86541-3 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00208-8 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
Biflorin
|
441959 |
Click to see
CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O
|
354.31 |
unknown |
via CMAUP database |
Clove-3
|
10338198 |
Click to see
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C3C(C(C(C(O3)CO)O)O)O
|
354.31 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
2-Heptanone
|
8051 |
Click to see
CCCCCC(=O)C
|
114.19 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
Eugenone
|
5317271 |
Click to see
CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC
|
252.26 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzodioxoles
|
(2S,3R,3aR,7aR)-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one
|
162973175 |
Click to see
CC1C(OC2(C1(C=C(C(=O)C2)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
|
372.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00208-8 |
2-(1,3-Benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-2,3,6,7-tetrahydro-1-benzofuran-6-ol
|
85095150 |
Click to see
CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
|
374.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00208-8 |
Kadsurin B
|
10022290 |
Click to see
CC1C(OC2(C1(C=C(C(C2)O)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
|
374.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00208-8 |
Piperlonguminine
|
5320621 |
Click to see
CC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2
|
273.33 |
unknown |
https://doi.org/10.1016/0031-9422(74)80272-4 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
|
Eugenin
|
10189 |
Click to see
CC1=CC(=O)C2=C(C=C(C=C2O1)OC)O
|
206.19 |
unknown |
via CMAUP database |
Eugenitin
|
3083581 |
Click to see
CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)C)O
|
220.22 |
unknown |
via CMAUP database |
Eugenitol
|
5036604 |
Click to see
CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O
|
206.19 |
unknown |
via CMAUP database |
Isoeugenitin
|
12310980 |
Click to see
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)C
|
220.22 |
unknown |
via CMAUP database |
Isoeugenitol
|
5318562 |
Click to see
CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O
|
206.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Rhamnetin
|
5281691 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
|
316.26 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Isoengeletin
|
101937309 |
Click to see
CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
434.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
1-Desgalloyleugeniin
|
9918701 |
Click to see
C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
via CMAUP database |
1-O,3-O-Digalloyl-4-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-2,2'-biphenylylene)biscarbonyl]-beta-D-glucopyranose
|
10056061 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O
|
786.60 |
unknown |
via CMAUP database |
Casuarictin
|
73644 |
Click to see
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
936.60 |
unknown |
via CMAUP database |
Eugeniin
|
442679 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
|
938.70 |
unknown |
via CMAUP database |
Strictinin
|
73330 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
|
634.50 |
unknown |
via CMAUP database |