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CHEBI:227542 - Colletotrichone C

ChEBI IDCHEBI:227542
ChEBI NameColletotrichone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O5
Net Charge0
Average Mass318.369
Monoisotopic Mass318.14672
SMILESCC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)OC[C@H]3[C@H]12
InChIInChI=1S/C18H22O5/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/h6-7,9,12,14-15H,5,8H2,1-4H3/t9-,12+,14-,15+,18-/m0/s1
InChIKeyRULUWZZSXPWTCW-XENVASCMSA-N
Species of MetaboliteComponentSourceComments
Colletotrichumspecies BS4 (ncbitaxon:1540424) - PubMed (26905687)
ChEBI Ontology
Outgoing Relation(s)
Colletotrichone C (CHEBI:227542) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9S,9aR,9bS)-3,6a-dimethyl-9-[(2S)-2-methylbutanoyl]-1,9,9a,9b-tetrahydrouro[2,3-h]isochromene-6,8-dione
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78438883ChemSpider