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CHEBI:178143 - Chalcomoracin

ChEBI IDCHEBI:178143
ChEBI NameChalcomoracin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H36O9
Net Charge0
Average Mass648.708
Monoisotopic Mass648.23593
SMILESCC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)CC2c2ccc(O)cc2O)c1O
InChIInChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3
InChIKeySEHVRKPXIDOTRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Chalcomoracin (CHEBI:178143) is a benzofurans (CHEBI:35259)
IUPAC Name 
[2-[2,6-dihydroxy-4-(6-hydroxy-1-benzouran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
Manual XrefsDatabases
384495ChemSpider
HMDB0030069HMDB