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CHEBI:67368 - pisonolic acid
| Formula | C31H48O5 |
| Net Charge | 0 |
| Average Mass | 500.720 |
| Monoisotopic Mass | 500.35017 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)OC |
| InChI | InChI=1S/C31H48O5/c1-26(2)14-16-31(24(33)34)17-15-28(4)19(20(31)18-26)8-9-21-27(3)12-11-23(32)30(6,25(35)36-7)22(27)10-13-29(21,28)5/h8,20-23,32H,9-18H2,1-7H3,(H,33,34)/t20-,21+,22+,23-,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | ZTADBTFVRJWIEY-KPKOFJSASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pisonia aculeata (ncbitaxon:363212) | |||
| root (BTO:0001188) | PubMed (21542597) | Cold methanolic extract of dried stems and roots | |
| stem (BTO:0001300) | PubMed (21542597) | Cold methanolic extract of dried stems and roots |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pisonolic acid (CHEBI:67368) has functional parent gypsogenic acid (CHEBI:71531) |
| pisonolic acid (CHEBI:67368) has parent hydride oleanane (CHEBI:36481) |
| pisonolic acid (CHEBI:67368) has role metabolite (CHEBI:25212) |
| pisonolic acid (CHEBI:67368) has role plant metabolite (CHEBI:76924) |
| pisonolic acid (CHEBI:67368) is a carboxylic ester (CHEBI:33308) |
| pisonolic acid (CHEBI:67368) is a hydroxy carboxylic acid (CHEBI:24669) |
| pisonolic acid (CHEBI:67368) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (3β)-3-hydroxy-23-methoxy-23-oxoolean-12-en-28-oic acid |
| Synonyms | Source |
|---|---|
| oleananic acid 23α-methylcarboxylate | ChEBI |
| gypsogenic acid 23-monomethyl ester | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5781597 | Reaxys |
| Citations |
|---|