CHEBI:189452 - Scutellarin methyl ester

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Scutellarin methyl ester
ChEBI ID CHEBI:189452
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H20O12
Net Charge 0
Average Mass 476.390
Monoisotopic Mass 476.09548
InChI InChI=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
InChIKey LNIVUWPCHRNJLG-SXFAUFNYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=C(O)C=C4)C(OC)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
54868908 ChemSpider
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