> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
Methyleugenol
|
7127 |
Click to see
COC1=C(C=C(C=C1)CC=C)OC
|
178.23 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
> Benzenoids / Phenol ethers / Anisoles
|
Elemicin
|
10248 |
Click to see
COC1=CC(=CC(=C1OC)OC)CC=C
|
208.25 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
Estragole
|
8815 |
Click to see
COC1=CC=C(C=C1)CC=C
|
148.20 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
[(2E,5S,6E,11S,13E)-1-(2,5-dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-2,6,13-trien-5-yl] acetate
|
163190318 |
Click to see
CC1=CC(=CC(=C1O)CC=C(C)CC(C=C(C)CCCC(C)C(=O)C=CC(C)(C)O)OC(=O)C)O
|
486.60 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(-)-beta-Bourbonene
|
324224 |
Click to see
CC(C)C1CCC2(C1C3C2CCC3=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
(+)-delta-Cadinene
|
441005 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
(+)-Gamma-cadinene
|
6432404 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
92042749 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
(1R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
5315592 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
|
134779875 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
|
14109005 |
Click to see
CC(=CCCC(C)(C1CCC(=CC1)CO)O)C
|
238.37 |
unknown |
https://doi.org/10.1021/NP50058A023 |
(E)-alpha-bisabolene
|
5315468 |
Click to see
CC1=CCC(CC1)C(=CCC=C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
(R)-beta-bisabolene
|
68128 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1021/NP50058A023 |
(Z)-alpha-Bisabolene
|
5352653 |
Click to see
CC1=CCC(CC1)C(=CCC=C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
1-Ethenyl-1,2-dimethyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane
|
5317024 |
Click to see
CC(=C1CCC(C(C1)(C)C(=C)C)(C)C=C)C
|
218.38 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane
|
6432312 |
Click to see
CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
alpha-Cadinol
|
10398656 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
alpha-Cubebene
|
442359 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Alpha-Farnesene
|
5281516 |
Click to see
CC(=CCCC(=CCC=C(C)C=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Beta-Bisabolene
|
10104370 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
https://doi.org/10.1021/NP50058A023 |
beta-Bourbonene
|
62566 |
Click to see
CC(C)C1CCC2(C1C3C2CCC3=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
beta-Cubebene
|
93081 |
Click to see
CC1CCC(C2C13C2C(=C)CC3)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
Cadina-1(10),4-diene
|
10223 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
|
89316 |
Click to see
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
delta-Elemene
|
12309449 |
Click to see
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Delta-Guaiene
|
94275 |
Click to see
CC1CCC2=C(CCC(CC12)C(=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1021/NP50058A023 |
gamma-Cadinene
|
15094 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
gamma-Muurolene
|
12313020 |
Click to see
CC1=CC2C(CC1)C(=C)CCC2C(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
Levomenol
|
442343 |
Click to see
CC1=CCC(CC1)C(C)(CCC=C(C)C)O
|
222.37 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
|
Beta-Elemene
|
6918391 |
Click to see
CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
(1aR,3aS,7bS)-1,1,3a,7-Tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
|
101596917 |
Click to see
CC1=C2C3C(C3(C)C)CCC2(CCC1)C
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
beta-Maaliene
|
521242 |
Click to see
CC1=C2C3C(C3(C)C)CCC2(CCC1)C
|
204.35 |
unknown |
https://doi.org/10.1021/NP50058A023 https://doi.org/10.1080/10412905.1989.9697801 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids
|
3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene
|
15095 |
Click to see
CC1=CC2C(=C(CCCC2(C)C)C)CC1
|
204.35 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 https://doi.org/10.1021/NP50058A023 |
beta-Himachalene
|
11586487 |
Click to see
CC1=CC2C(=C(CCCC2(C)C)C)CC1
|
204.35 |
unknown |
https://doi.org/10.1021/NP50058A023 https://doi.org/10.1080/10412905.1989.9697801 |
> Organoheterocyclic compounds / Benzodioxoles
|
Safrole
|
5144 |
Click to see
C=CCC1=CC2=C(C=C1)OCO2
|
162.18 |
unknown |
https://doi.org/10.1080/10412905.1989.9697801 |
> Organoheterocyclic compounds / Dihydrofurans / Furanones
|
(1S,3S,5R,6S,7R,8S,9S)-5-[(2R)-butan-2-yl]-5,8,9-trihydroxy-1,6-dimethyl-10-methylidene-13-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradec-11-ene-6-carboxylic acid
|
162955194 |
Click to see
CCC(C)C1(C(C2C(O1)CC3(C(=O)C=C(O3)C(=C)C(C2O)O)C)(C)C(=O)O)O
|
396.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
5-Butan-2-yl-5,8,9-trihydroxy-1,6-dimethyl-10-methylidene-13-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradec-11-ene-6-carboxylic acid
|
162955193 |
Click to see
CCC(C)C1(C(C2C(O1)CC3(C(=O)C=C(O3)C(=C)C(C2O)O)C)(C)C(=O)O)O
|
396.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
> Organoheterocyclic compounds / Furofurans
|
(13-Butan-2-yl-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl)methyl acetate
|
75012002 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)COC(=O)C)C)C)O
|
420.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
(1S,3R,7Z,9S,12S,13R,15R)-13-[(2S)-butan-2-yl]-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
|
163045276 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)CO)C)C)O
|
378.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
(1S,3S,7Z,9R,12S,13R,15R)-13-[(2R)-butan-2-yl]-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
|
163045275 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)CO)C)C)O
|
378.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
[(1S,3R,7Z,12S,13R,15R)-13-[(2R)-butan-2-yl]-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate
|
163189361 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)COC(=O)C)C)C)O
|
420.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
[(1S,3R,7Z,9S,12S,13R,15R)-13-[(2R)-butan-2-yl]-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate
|
163043860 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)COC(=O)C)C)C)O
|
420.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
[(1S,3S,7Z,9R,12S,13R,15R)-13-[(2R)-butan-2-yl]-13-hydroxy-3,12-dimethyl-4,11-dioxo-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-dien-7-yl]methyl acetate
|
163043861 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)COC(=O)C)C)C)O
|
420.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
13-Butan-2-yl-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
|
75022196 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)CO)C)C)O
|
378.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
15-Acetoxyeremantholide B
|
134770925 |
Click to see
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)COC(=O)C)C)C)O
|
420.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 4-O-methylated flavonoids
|
5,7-Dihydroxy-3',4'-dimethoxyflavone
|
5351234 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC
|
314.29 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |
Ermanin
|
5352001 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
|
314.29 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00524-X |