CHEBI:58407 - isoscoparin-7-olate

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ChEBI Name isoscoparin-7-olate
ChEBI ID CHEBI:58407
Definition The 7-oxoanion of isoscoparin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H21O11
Net Charge -1
Average Mass 461.39550
Monoisotopic Mass 461.10894
InChI InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/p-1/t15-,18-,20+,21-,22+/m1/s1
InChIKey KOMUHHCFAXYRPO-DGHBBABESA-M
SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])cc2o1
ChEBI Ontology
Outgoing isoscoparin-7-olate (CHEBI:58407) is a flavonoid oxoanion (CHEBI:60038)
isoscoparin-7-olate (CHEBI:58407) is conjugate base of isoscoparin (CHEBI:18200)
Incoming isoscoparin (CHEBI:18200) is conjugate acid of isoscoparin-7-olate (CHEBI:58407)
IUPAC Name
(1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonym Source
isoscoparin UniProt
Manual Xref Database
ISOSCOPARIN MetaCyc
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Last Modified
13 November 2017