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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: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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 |
|---|