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CHEBI:227537 - Colletotrichone B

ChEBI IDCHEBI:227537
ChEBI NameColletotrichone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCC[C@H](C)C(=O)[C@@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC=C3[C@@H]12
InChIInChI=1S/C18H20O5/c1-5-9(2)16(20)14-15-12-8-22-10(3)6-11(12)7-13(19)18(15,4)23-17(14)21/h6-9,14-15H,5H2,1-4H3/t9-,14+,15-,18-/m0/s1
InChIKeyMZMGICPQNSXAGE-VGSBGKTFSA-N
Species of MetaboliteComponentSourceComments
Colletotrichumspecies BS4 (ncbitaxon:1540424) - PubMed (26905687)
ChEBI Ontology
Outgoing Relation(s)
Colletotrichone B (CHEBI:227537) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-3,6a-dimethyl-9-[(2S)-2-methylbutanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
78438882ChemSpider