CHEBI:191811 - Rhamnazin 3-sophoroside

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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 Rhamnazin 3-sophoroside
ChEBI ID CHEBI:191811
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H34O17
Net Charge 0
Average Mass 654.574
Monoisotopic Mass 654.17960
InChI InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3
InChIKey WPIJGCCJUFCJAE-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(OC)=C(O)C=C4)CO)C5OC(C(O)C(O)C5O)CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Rhamnazin 3-sophoroside (CHEBI:191811) is a flavonoids (CHEBI:72544)
Rhamnazin 3-sophoroside (CHEBI:191811) is a glycoside (CHEBI:24400)
IUPAC Name
3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
Manual Xref Database
HMDB0038235 HMDB
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