EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:215110 - Agripilol B
| Formula | C15H28O3 |
| Net Charge | 0 |
| Average Mass | 256.386 |
| Monoisotopic Mass | 256.20384 |
| SMILES | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@](O)(CO)[C@@H]2CO |
| InChI | InChI=1S/C15H28O3/c1-13(2)6-4-7-14(3)11(13)5-8-15(18,10-17)12(14)9-16/h11-12,16-18H,4-10H2,1-3H3/t11-,12+,14-,15-/m0/s1 |
| InChIKey | KBWCBPUTSOWUHW-NEBZKDRISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusariumspecies (ncbitaxon:29916) | - | DOI (10.1002/hlca.201000413) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Agripilol B (CHEBI:215110) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| (1S,2R,4aS,8aS)-1,2-bis(hydroxymethyl)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Manual Xrefs | Databases |
|---|---|
| 78441340 | ChemSpider |