CHEBI:214538 - Conocenol A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Conocenol A
ChEBI ID CHEBI:214538
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O3
Net Charge 0
Average Mass 254.370
Monoisotopic Mass 254.18819
InChI InChI=1S/C15H26O3/c1-10-3-4-11(7-16)14(8-17)13-6-15(2,9-18)5-12(10)13/h10-12,16-18H,3-9H2,1-2H3/t10-,11+,12-,15+/m0/s1
InChIKey OVEMDSHJDSVUAE-OZTPJHRESA-N
SMILES OCC1=C2[C@H]([C@@H](C)CC[C@@H]1CO)C[C@](C2)(CO)C
Metabolite of Species Details
Conocybe siliginea (NCBI:txid373326) See: PubMed
ChEBI Ontology
Outgoing Conocenol A (CHEBI:214538) is a primary alcohol (CHEBI:15734)
IUPAC Name
[(2R,5S,8S,8aS)-2,4-bis(hydroxymethyl)-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol
Manual Xref Database
78441334 ChemSpider
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