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CHEBI:207225 - Ochroleucin A2

ChEBI IDCHEBI:207225
ChEBI NameOchroleucin A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H14O6
Net Charge0
Average Mass386.359
Monoisotopic Mass386.07904
SMILESC=C(C)C#CC1=C/C(=C2/C(=O)Oc3c(C#CC(=C)C)cc(O)c(C=O)c32)OC1=O
InChIInChI=1S/C23H14O6/c1-12(2)5-7-14-9-17(25)16(11-24)19-20(23(27)29-21(14)19)18-10-15(22(26)28-18)8-6-13(3)4/h9-11,25H,1,3H2,2,4H3/b20-18-
InChIKeyFZNSNRDGUCILLQ-ZZEZOPTASA-N
Species of MetaboliteComponentSourceComments
Russula ochroleuca (ncbitaxon:152965) - DOI (10.1002/ejoc.200500714)
ChEBI Ontology
Outgoing Relation(s)
Ochroleucin A2 (CHEBI:207225) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3Z)-5-hydroxy-7-(3-methylbut-3-en-1-ynyl)-3-[4-(3-methylbut-3-en-1-ynyl)-5-oxouran-2-ylidene]-2-oxo-1-benzouran-4-carbaldehyde
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78435083ChemSpider