CHEBI:83856 - dalpatein(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dalpatein(1−)
ChEBI ID CHEBI:83856
ChEBI ASCII Name dalpatein(1-)
Definition A flavonoid oxoanion that is the conjugate base of dalpatein, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H13O7
Net Charge -1
Average Mass 341.29220
Monoisotopic Mass 341.06668
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/p-1
InChIKey GYUPEJCNVAKZSU-UHFFFAOYSA-M
SMILES COc1cc2OCOc2cc1-c1coc2cc([O-])c(OC)cc2c1=O
ChEBI Ontology
Outgoing dalpatein(1−) (CHEBI:83856) is a flavonoid oxoanion (CHEBI:60038)
dalpatein(1−) (CHEBI:83856) is conjugate base of dalpatein (CHEBI:55549)
Incoming dalpatein (CHEBI:55549) is conjugate acid of dalpatein(1−) (CHEBI:83856)
IUPAC Name
6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate
Synonym Source
dalpatein UniProt
Last Modified
06 February 2015