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CHEBI:220739 - Colletotrichine A

ChEBI IDCHEBI:220739
ChEBI NameColletotrichine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C1CC[C@@]2(O)C[C@]1(O)[C@H](C)C(=O)[C@H]2C=C(C)C
InChIInChI=1S/C15H22O3/c1-9(2)7-12-13(16)11(4)15(18)8-14(12,17)6-5-10(15)3/h7,11-12,17-18H,3,5-6,8H2,1-2,4H3/t11-,12-,14-,15-/m1/s1
InChIKeyXMSUMOLPNNGWLR-QHSBEEBCSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (28805453)
ChEBI Ontology
Outgoing Relation(s)
Colletotrichine A (CHEBI:220739) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,2S,4S,5S)-1,5-dihydroxy-4-methyl-6-methylidene-2-(2-methylprop-1-enyl)bicyclo[3.3.1]nonan-3-one
Manual XrefsDatabases
78441864ChemSpider