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CHEBI:199116 - Neoverrucosan-5beta,9beta,18beta-triol
| Formula | C20H34O3 |
| Net Charge | 0 |
| Average Mass | 322.489 |
| Monoisotopic Mass | 322.25079 |
| SMILES | CC(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1[C@@H]3C[C@]3(CO)[C@H](O)C[C@]1(C)C[C@@H]2O |
| InChI | InChI=1S/C20H34O3/c1-11(2)12-5-6-19(4)14(22)8-18(3)9-15(23)20(10-21)7-13(20)17(18)16(12)19/h11-17,21-23H,5-10H2,1-4H3/t12-,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1 |
| InChIKey | JAYDSYVXWHKZDH-MUOQQGGZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saprospira (ncbitaxon:1007) | - | PubMed (12828468) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neoverrucosan-5beta,9beta,18beta-triol (CHEBI:199116) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| (1R,2R,3S,6S,7S,9S,11R,12S,14S)-12-(hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol |
| Manual Xrefs | Databases |
|---|---|
| 9057087 | ChemSpider |