EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213657 - Colletotricholide A

ChEBI IDCHEBI:213657
ChEBI NameColletotricholide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCc1c(O)cc2c(c1C)C(=O)O[C@@H]([C@@]1([C@@H]3CC=C4CCC[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/h8,10,13,17,22,25H,5-7,9,11-12H2,1-4H3/t13-,17+,22-,23+,24-/m0/s1
InChIKeyVBECHIXZDJGPBK-HYEPFTTDSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (31927010)
ChEBI Ontology
Outgoing Relation(s)
Colletotricholide A (CHEBI:213657) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2S)-2-[(2R)-2-[(2R,8S,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]oxiran-2-yl]-7-hydroxy-5,6-dimethyl-1,3-benzodioxin-4-one