CHEBI:55549 - dalpatein

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ChEBI Name dalpatein
ChEBI ID CHEBI:55549
Definition An methoxyisoflavone having methoxy substituents at the 6- and 2'-positions, a hydroxy group at position 7 and a methylenedioxy moiety at the 4'- and 5'-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H14O7
Net Charge 0
Average Mass 342.29960
Monoisotopic Mass 342.07395
InChI InChI=1S/C18H14O7/c1-21-13-6-17-16(24-8-25-17)3-9(13)11-7-23-14-5-12(19)15(22-2)4-10(14)18(11)20/h3-7,19H,8H2,1-2H3
InChIKey GYUPEJCNVAKZSU-UHFFFAOYSA-N
SMILES COc1cc2c(cc1O)occ(-c1cc3OCOc3cc1OC)c2=O
ChEBI Ontology
Outgoing dalpatein (CHEBI:55549) has functional parent isoflavone (CHEBI:18220)
dalpatein (CHEBI:55549) is a 7-hydroxyisoflavones (CHEBI:55465)
dalpatein (CHEBI:55549) is a benzodioxoles (CHEBI:38298)
dalpatein (CHEBI:55549) is a methoxyisoflavone (CHEBI:38756)
dalpatein (CHEBI:55549) is conjugate acid of dalpatein(1−) (CHEBI:83856)
Incoming dalpatein(1−) (CHEBI:83856) is conjugate base of dalpatein (CHEBI:55549)
IUPAC Name
7-hydroxy-6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one
Manual Xrefs Databases
CPD-9710 MetaCyc
LMPK12050124 LIPID MAPS
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Registry Numbers Types Sources
1440356 Beilstein Registry Number Beilstein
1440356 Reaxys Registry Number Reaxys
Last Modified
14 July 2016