CHEBI:177953 - 3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
ChEBI ID CHEBI:177953
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O11
Net Charge 0
Average Mass 450.396
Monoisotopic Mass 450.11621
InChI InChI=1S/C21H22O11/c1-29-12-4-8(2-3-10(12)24)19-20(32-21-18(28)16(26)14(7-22)31-21)17(27)15-11(25)5-9(23)6-13(15)30-19/h2-6,14,16,18-26,28H,7H2,1H3
InChIKey WHHPSXNFOADHEK-UHFFFAOYSA-N
SMILES O1C(OC2C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)C(O)C(O)C1CO
Metabolite of Species Details
Bombyx mori (NCBI:txid7091) Found in hemolymph (BTO:0000572).
ChEBI Ontology
Outgoing 3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:177953) is a flavonoids (CHEBI:72544)
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:177953) is a glycoside (CHEBI:24400)
IUPAC Name
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Manual Xref Database
HMDB0132741 HMDB
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