> Alkaloids and derivatives / Macroline alkaloids
|
(2S,13S,15R,16R,19R,20R)-19-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-19-ol
|
101168507 |
Click to see
CC1(C2CN3C4CC2C(C3CC5=C4NC6=CC=CC=C56)CO1)O
|
310.40 |
unknown |
https://doi.org/10.1016/S0944-7113(11)80066-8 https://doi.org/10.3987/COM-90-5487 |
Tombozine
|
5318845 |
Click to see
CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)CO
|
294.40 |
unknown |
https://doi.org/10.3987/COM-90-5487 |
> Alkaloids and derivatives / Strychnos alkaloids
|
(4aR,5aS,8aR,13aS,15aR,15bR)-15-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-2,4a,5,5a,7,8,13a,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline
|
101208724 |
Click to see
CC=C1CN2CCC3=C(C2CC1C4=CN5C6C7C4OCC=C8C7CC9C6(CCN9C8)C1=CC=CC=C15)NC1=CC=CC=C31
|
568.70 |
unknown |
https://doi.org/10.3987/COM-90-5487 |
(4aR,5aS,8aS,13aR,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
|
10020778 |
Click to see
C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)[O-]
|
350.40 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters
|
Benzyl Benzoate
|
2345 |
Click to see
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
|
212.24 |
unknown |
via CMAUP database |
> 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 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(E,E)-1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene
|
5318102 |
Click to see
CC1=CCC(C=CCC(=C)CCC1)(C)C
|
204.35 |
unknown |
via CMAUP database |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
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 / Terpene lactones
|
[(4S,4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxo-4,5,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
10428722 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(=O)CC3)C)C)O)C
|
362.40 |
unknown |
https://doi.org/10.3987/COM-90-5487 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
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 |
> 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 / 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 |
> Organoheterocyclic compounds / Indoles and derivatives / Carbazoles
|
(1R,9S,19S,21R,22R,23S)-19-amino-8-oxa-12-azahexacyclo[10.6.5.01,23.05,21.09,22.013,18]tricosa-5,13,15,17-tetraen-11-one
|
57394605 |
Click to see
C1CC2=CCOC3CC(=O)N4C5C3C2CC(C5(C1)C6=CC=CC=C64)N
|
336.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
|
Cantleyine
|
442515 |
Click to see
CC1C(CC2=C(C=NC=C12)C(=O)OC)O
|
207.23 |
unknown |
https://doi.org/10.1016/S0944-7113(99)80005-1 |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
Longicaudatin
|
10026569 |
Click to see
COC1=C2C=C(OC2=C(C(=C1)O)C(=O)CCC3=CC=CC=C3)C4=C(C=CC(=C4)C(=O)OC)O
|
446.40 |
unknown |
https://doi.org/10.1002/PTR.2650050107 |
> 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 |