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CHEBI:189452 - Scutellarin methyl ester

ChEBI IDCHEBI:189452
ChEBI NameScutellarin methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O12
Net Charge0
Average Mass476.390
Monoisotopic Mass476.09548
SMILESCOC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-13-7-12-14(16(26)15(13)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,17-20,22-23,25-29H,1H3/t17-,18-,19+,20-,22+/m0/s1
InChIKeyLNIVUWPCHRNJLG-SXFAUFNYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Scutellarin methyl ester (CHEBI:189452) is a flavonoids (CHEBI:72544)
Scutellarin methyl ester (CHEBI:189452) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
methyl (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Manual XrefsDatabases
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