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CHEBI:227531 - Colletotrichone A

ChEBI IDCHEBI:227531
ChEBI NameColletotrichone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O7
Net Charge0
Average Mass348.351
Monoisotopic Mass348.12090
SMILESCC[C@H](C)C1=C2C(=O)O[C@@]3(C)C(=O)C=C4C=C(C)O[C@@H](O1)[C@@]4(O)[C@@]23O
InChIInChI=1S/C18H20O7/c1-5-8(2)13-12-14(20)25-16(4)11(19)7-10-6-9(3)23-15(24-13)17(10,21)18(12,16)22/h6-8,15,21-22H,5H2,1-4H3/t8-,15-,16-,17+,18+/m0/s1
InChIKeyHUOWXIKEDQUVJC-WWTLFKCGSA-N
Species of MetaboliteComponentSourceComments
Colletotrichumspecies BS4 (ncbitaxon:1540424) - PubMed (26905687)
ChEBI Ontology
Outgoing Relation(s)
Colletotrichone A (CHEBI:227531) is a furopyran (CHEBI:74927)
IUPAC Name 
(4S,11R,14S,15S)-2-[(2S)-butan-2-yl]-14,15-dihydroxy-6,11-dimethyl-3,5,12-trioxatetracyclo[6.5.2.04,15.011,14]pentadeca-1,6,8-triene-10,13-dione
Manual XrefsDatabases
78438881ChemSpider