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CHEBI:6039 - isopimaric acid
| Formula | C20H30O2 |
| Net Charge | 0 |
| Average Mass | 302.458 |
| Monoisotopic Mass | 302.22458 |
| SMILES | [H][C@@]12CC=C3C[C@@](C)(C=C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)O |
| InChI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1 |
| InChIKey | MXYATHGRPJZBNA-KRFUXDQASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Biota orientalis (IPNI:261739-1) | |||
| leaf (BTO:0000713) | PubMed (21793559) | Ethylacetate extract of Cebaye, Inseperable mixture of isopimaric acid and sandaracopimaric acid | |
| twig (BTO:0001411) | PubMed (21793559) | Ethylacetate extract of Cebaye, Inseperable mixture of isopimaric acid and sandaracopimaric acid |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isopimaric acid (CHEBI:6039) has parent hydride isopimara-7,15-diene (CHEBI:52280) |
| isopimaric acid (CHEBI:6039) is a carbotricyclic compound (CHEBI:38032) |
| isopimaric acid (CHEBI:6039) is a diterpenoid (CHEBI:23849) |
| isopimaric acid (CHEBI:6039) is a monocarboxylic acid (CHEBI:25384) |
| isopimaric acid (CHEBI:6039) is conjugate acid of isopimarate (CHEBI:58924) |
| Incoming Relation(s) |
| isopimarate (CHEBI:58924) is conjugate base of isopimaric acid (CHEBI:6039) |
| IUPAC Name |
|---|
| (13S)-pimara-7,15-dien-18-oic acid |
| Synonyms | Source |
|---|---|
| Isopimaric acid | KEGG COMPOUND |
| 4-Epi-isopimaric acid | ChemIDplus |
| (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid | ChEBI |