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CHEBI:197571 - Agripilol A

ChEBI IDCHEBI:197571
ChEBI NameAgripilol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESCC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@](O)(CO)[C@@H]2CO
InChIInChI=1S/C15H28O4/c1-13(2)10-4-7-15(19,9-17)11(8-16)14(10,3)6-5-12(13)18/h10-12,16-19H,4-9H2,1-3H3/t10-,11+,12-,14-,15-/m0/s1
InChIKeyKGLMPVRRHNUOST-XXUMUBMXSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1002/hlca.201000413)
ChEBI Ontology
Outgoing Relation(s)
Agripilol A (CHEBI:197571) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,2R,4aR,6S,8aS)-1,2-bis(hydroxymethyl)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol
Manual XrefsDatabases
28288888ChemSpider