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CHEBI:213662 - Colletotricholide B

ChEBI IDCHEBI:213662
ChEBI NameColletotricholide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCc1c(O)cc2c(c1C)C(=O)O[C@H]([C@@]1([C@@H]3CCC4=CCC[C@@H](C)[C@]4(C)C3)CO1)O2
InChIInChI=1S/C24H30O5/c1-13-6-5-7-16-8-9-17(11-23(13,16)4)24(12-27-24)22-28-19-10-18(25)14(2)15(3)20(19)21(26)29-22/h7,10,13,17,22,25H,5-6,8-9,11-12H2,1-4H3/t13-,17-,22-,23+,24+/m1/s1
InChIKeyIEYULSVFPBUUML-RRUPSVDESA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (31927010)
ChEBI Ontology
Outgoing Relation(s)
Colletotricholide B (CHEBI:213662) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2R)-2-[(2R)-2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]oxiran-2-yl]-7-hydroxy-5,6-dimethyl-1,3-benzodioxin-4-one