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CHEBI:210972 - Secobotrytriendiol

ChEBI IDCHEBI:210972
ChEBI NameSecobotrytriendiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC=CC1=C(/C(=C\C)CO)[C@@](C)(CO)CC1(C)C
InChIInChI=1S/C15H24O2/c1-6-11(8-16)13-12(7-2)14(3,4)9-15(13,5)10-17/h6-7,16-17H,2,8-10H2,1,3-5H3/b11-6-/t15-/m1/s1
InChIKeyBHNACKMCMDASDB-UJNBGNEJSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (10691704)
ChEBI Ontology
Outgoing Relation(s)
Secobotrytriendiol (CHEBI:210972) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E)-2-[(5S)-2-ethenyl-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol
Manual XrefsDatabases
9022730ChemSpider