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CHEBI:132338 - triptohypol B
| Formula | C30H40O5 |
| Net Charge | 0 |
| Average Mass | 480.645 |
| Monoisotopic Mass | 480.28757 |
| SMILES | [H][C@@]12C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]1(C)C3=CC(=O)c4c(cc(O)c(OC)c4C)[C@]3(C)CC[C@@]21C |
| InChI | InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)35-7)28(4)11-13-30(6)22-16-27(3,25(33)34)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32H,8-13,16H2,1-7H3,(H,33,34)/t22-,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | KFGGKCFEQGLWFO-NLVUKCNFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tripterygium doianum (ncbitaxon:859951) | branch (BTO:0000148) | PubMed (12165306) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | 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) |
| triptohypol B (CHEBI:132338) has role plant metabolite (CHEBI:76924) |
| triptohypol B (CHEBI:132338) is a aromatic ether (CHEBI:35618) |
| triptohypol B (CHEBI:132338) is a cyclic terpene ketone (CHEBI:36130) |
| triptohypol B (CHEBI:132338) is a enone (CHEBI:51689) |
| triptohypol B (CHEBI:132338) is a monocarboxylic acid (CHEBI:25384) |
| triptohypol B (CHEBI:132338) is a pentacyclic triterpenoid (CHEBI:25872) |
| triptohypol B (CHEBI:132338) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| (2R,4aS,6aS,12bR,14aS,14bR)-11-hydroxy-10-methoxy-2,4a,6a,9,12b,14a-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid |
| Synonym | Source |
|---|---|
| (-)-Triptohypol B | KNApSAcK |
| Citations |
|---|