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CHEBI:223064 - Gliocladinin A

ChEBI IDCHEBI:223064
ChEBI NameGliocladinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCOC1=C(c2ccc(OC)cc2)C(=O)[C@H](O)[C@@](O)(c2ccc(OC)cc2)C1
InChIInChI=1S/C21H22O6/c1-25-15-8-4-13(5-9-15)18-17(27-3)12-21(24,20(23)19(18)22)14-6-10-16(26-2)11-7-14/h4-11,20,23-24H,12H2,1-3H3/t20-,21-/m0/s1
InChIKeyGZSCQNISHIIIPB-SFTDATJTSA-N
Species of MetaboliteComponentSourceComments
Gliocladiumspecies (ncbitaxon:1955101) - PubMed (17854154)
ChEBI Ontology
Outgoing Relation(s)
Gliocladinin A (CHEBI:223064) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(5S,6R)-5,6-dihydroxy-3-methoxy-2,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one
Manual XrefsDatabases
23310960ChemSpider