> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzophenones
|
3-Geranyl-2,4,6-trihydroxybenzophenone
|
6477676 |
Click to see
CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)C)C
|
366.40 |
unknown |
via CMAUP database |
> Benzenoids / Phenol ethers / Anisoles
|
Estragole
|
8815 |
Click to see
COC1=CC=C(C=C1)CC=C
|
148.20 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
gamma-Terpinene
|
7461 |
Click to see
CC1=CCC(=CC1)C(C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
|
(r)-Citronellyl propionate
|
38989039 |
Click to see
CCC(=O)OCCC(C)CCC=C(C)C
|
212.33 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Citronellyl propionate
|
8834 |
Click to see
CCC(=O)OCCC(C)CCC=C(C)C
|
212.33 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
8,13-Abietadien-18-oic acid
|
16040 |
Click to see
CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Abietic acid
|
10569 |
Click to see
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Levopimaric acid
|
221062 |
Click to see
CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Neoabietic acid
|
221118 |
Click to see
CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Palustric acid
|
443613 |
Click to see
CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Sandaracopimaric Acid
|
221580 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
|
302.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Cembrane diterpenoids
|
(1E,3Z,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
|
6427092 |
Click to see
CC1=CCCC(=CCC=C(C=CC(CC1)C(C)C)C)C
|
272.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
(1Z,5Z,10Z,12S)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
|
101603197 |
Click to see
CC1=CCCC(=C)C=CC(CCC(=CCC1)C)C(C)C
|
272.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
(2E,7E,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
|
5317085 |
Click to see
CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O
|
290.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
(3Z,6Z,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene
|
134128866 |
Click to see
CC1=CCCC(=CCC=C(C=CC(CC1)C(C)C)C)C
|
272.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
(5Z,7Z,10Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-5,7,10-trien-1-ol
|
101670433 |
Click to see
CC1=CCC=C(C=CC(CCC(CCC1)(C)O)C(C)C)C
|
290.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
|
11208039 |
Click to see
CC1=CCCC(=CCC(CCC(=CCC1)C)C(=C)C)C
|
272.50 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
1,5,9-Trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
|
328947 |
Click to see
CC1=CCCC(=CCC(CCC(=CCC1)C)C(=C)C)C
|
272.50 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Thunbergol
|
5363523 |
Click to see
CC1=CCCC(C=CC(CCC(=CCC1)C)C(C)C)(C)O
|
290.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
beta-OCIMENE, (3E)-
|
5281553 |
Click to see
CC(=CCC=C(C)C=C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Myrcene
|
31253 |
Click to see
CC(=CCCC(=C)C=C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ https://doi.org/10.1016/S0031-9422(00)89650-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(-)-beta-Pinene
|
440967 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
(+)-alpha-Pinene
|
82227 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
alpha-PINENE
|
6654 |
Click to see
CC1=CCC2CC1C2(C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ https://doi.org/10.1016/S0031-9422(00)89650-8 |
beta-Pinene
|
14896 |
Click to see
CC1(C2CCC(=C)C1C2)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Bornyl acetate
|
6448 |
Click to see
CC(=O)OC1CC2CCC1(C2(C)C)C
|
196.29 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Bornyl acetate, (-)-
|
93009 |
Click to see
CC(=O)OC1CC2CCC1(C2(C)C)C
|
196.29 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Camphene
|
6616 |
Click to see
CC1(C2CCC(C2)C1=C)C
|
136.23 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
Limonene, (-)-
|
439250 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Limonene, (+/-)-
|
22311 |
Click to see
CC1=CCC(CC1)C(=C)C
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ https://doi.org/10.1016/S0031-9422(00)89650-8 |
Terpinolene
|
11463 |
Click to see
CC1=CCC(=C(C)C)CC1
|
136.23 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(-)-alpha-Cubebene
|
86609 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
(+)-delta-Cadinene
|
441005 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
|
98459467 |
Click to see
CC1(CCCC2(C3C1C4C2(C4C3)C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
(1S,4S,4aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
|
13966509 |
Click to see
CC1CCC(C2C1=CCC(=C2)C)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene
|
101708 |
Click to see
CC1=CC2C(CC1)C(=CCC2C(C)C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
|
23204 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol
|
519662 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
alpha-Cubebene
|
442359 |
Click to see
CC1CCC(C2C13C2C(=CC3)C)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
alpha-Muurolene
|
12306047 |
Click to see
CC1=CC2C(CC1)C(=CCC2C(C)C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
|
26318 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Cadina-1(10),4-diene
|
10223 |
Click to see
CC1=CC2C(CCC(=C2CC1)C)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Caryophyllene,alpha + beta mixt.
|
5354499 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
CID 16396350
|
16396350 |
Click to see
CC1(CCCC2(C3C1C(C2=C)CC3)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Copaene
|
12303902 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
delta-Cadinol
|
3084311 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Longicyclene
|
564934 |
Click to see
CC1(CCCC2(C3C1C4C2(C4C3)C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Longifolene
|
289151 |
Click to see
CC1(CCCC2(C3C1C(C2=C)CC3)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89650-8 |
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-
|
519298 |
Click to see
CC1CCC(C2C1=CCC(=C2)C)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
|
89532 |
Click to see
CC1CCC2=C(CCC3C(C12)C3(C)C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
Viridiflorene
|
10910653 |
Click to see
CC1CCC2=C(CCC3C(C12)C3(C)C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
|
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-
|
91104 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, (1Z,6Z,8S)-
|
91746556 |
Click to see
CC1=CCCC(=C)C=CC(CC1)C(C)C
|
204.35 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149402/ |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Betulinic Acid
|
64971 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
|
456.70 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones
|
1,3,5-Trihydroxyxanthone
|
5281663 |
Click to see
C1=CC2=C(C(=C1)O)OC3=CC(=CC(=C3C2=O)O)O
|
244.20 |
unknown |
via CMAUP database |
1,3,6-Trihydroxy-5-methoxyxanthone
|
5493675 |
Click to see
COC1=C(C=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O
|
274.22 |
unknown |
via CMAUP database |
1,5-Dihydroxyxanthone
|
5480299 |
Click to see
C1=CC2=C(C(=C1)O)OC3=CC=CC(=C3C2=O)O
|
228.20 |
unknown |
via CMAUP database |
3,5-Dihydroxy-4-methoxy-xanthen-9-one
|
5493669 |
Click to see
COC1=C(C=CC2=C1OC3=C(C2=O)C=CC=C3O)O
|
258.23 |
unknown |
via CMAUP database |
3,5-Dimethoxy-1,6-dihydroxyxanthone
|
5281630 |
Click to see
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3OC)O)O
|
288.25 |
unknown |
via CMAUP database |
Buchanaxanthone
|
5481840 |
Click to see
COC1=C(C=CC2=C1OC3=CC=CC(=C3C2=O)O)O
|
258.23 |
unknown |
via CMAUP database |
Gentisein
|
5281635 |
Click to see
C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O
|
244.20 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / 2-prenylated xanthones
|
1,3,7-Trihydroxy-2-prenylxanthone
|
5495920 |
Click to see
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O)C
|
312.30 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Xanthones / 8-prenylated xanthones
|
1,3,5-Trihydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
|
5493671 |
Click to see
CC(=CCC1=C2C(=C(C=C1)O)OC3=CC(=CC(=C3C2=O)O)O)C
|
312.30 |
unknown |
via CMAUP database |
2,4,6,8-Tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
|
5493670 |
Click to see
CC(=CCC1=C2C(=C(C=C1O)O)OC3=CC(=CC(=C3C2=O)O)O)C
|
328.30 |
unknown |
via CMAUP database |
2,4,8-Trihydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
|
5493672 |
Click to see
CC(=CCC1=C2C(=C(C=C1O)O)OC3=CC=CC(=C3C2=O)O)C
|
312.30 |
unknown |
via CMAUP database |