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CHEBI:69368 - nipponogenin E
| Formula | C30H48O5 |
| Net Charge | 0 |
| Average Mass | 488.709 |
| Monoisotopic Mass | 488.35017 |
| SMILES | [H][C@]12CC=C3[C@]4([H])C[C@](C)(CO)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)CO |
| InChI | InChI=1S/C30H48O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1 |
| InChIKey | LQETVSULLNKTKF-LYABJINESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kalopanax pictus (ncbitaxon:46399) | stem (BTO:0001300) | PubMed (21870831) | Previous component: stem bark; Hot MeOH extract of dried stem bark |
| 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) |
| nipponogenin E (CHEBI:69368) has parent hydride oleanane (CHEBI:36481) |
| nipponogenin E (CHEBI:69368) has role metabolite (CHEBI:25212) |
| nipponogenin E (CHEBI:69368) has role plant metabolite (CHEBI:76924) |
| nipponogenin E (CHEBI:69368) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| nipponogenin E (CHEBI:69368) is a pentacyclic triterpenoid (CHEBI:25872) |
| IUPAC Name |
|---|
| (3β)-3,23,29-trihydroxyolean-12-en-28-oic acid |
| Synonym | Source |
|---|---|
| 29-hydroxyhederagenin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8744876 | Reaxys |
| Citations |
|---|