CHEBI:215110 - Agripilol B

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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 Agripilol B
ChEBI ID CHEBI:215110
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H28O3
Net Charge 0
Average Mass 256.386
Monoisotopic Mass 256.20384
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
SMILES O[C@]1([C@@H]([C@@]2([C@H](C(CCC2)(C)C)CC1)C)CO)CO
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78441340 ChemSpider
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