CHEBI:107656 - 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
ChEBI ID CHEBI:107656
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H18O6
Net Charge 0
Average Mass 366.365
Monoisotopic Mass 366.110
InChI InChI=1S/C21H18O6/c1-11(2)3-5-13-15(22)8-18-19(20(13)23)21(24)14(9-25-18)12-4-6-16-17(7-12)27-10-26-16/h3-4,6-9,22-23H,5,10H2,1-2H3
InChIKey FTBGFGQPUMCUSC-UHFFFAOYSA-N
SMILES CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)O)C
ChEBI Ontology
Outgoing 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one (CHEBI:107656) is a isoflavanones (CHEBI:38741)
Manual Xref Database
LSM-19034 LINCS
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