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CHEBI:205788 - Corallocin B

ChEBI IDCHEBI:205788
ChEBI NameCorallocin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO4
Net Charge0
Average Mass435.564
Monoisotopic Mass435.24096
SMILESCOc1cc2c(c(O)c1C/C=C(\C)CCC=C(C)C)CN(CCc1ccc(O)cc1)C2=O
InChIInChI=1S/C27H33NO4/c1-18(2)6-5-7-19(3)8-13-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)15-14-20-9-11-21(29)12-10-20/h6,8-12,16,29-30H,5,7,13-15,17H2,1-4H3/b19-8+
InChIKeyFLSSXXIBSVDSKS-UFWORHAWSA-N
Species of MetaboliteComponentSourceComments
Hericium coralloides (ncbitaxon:100756) - PubMed (27588730)
ChEBI Ontology
Outgoing Relation(s)
Corallocin B (CHEBI:205788) is a isoindoles (CHEBI:24897)
IUPAC Name 
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-3H-isoindol-1-one
Manual XrefsDatabases
76729679ChemSpider