CHEBI:191797 - Aromadendrin 3,7-diglucoside

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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 Aromadendrin 3,7-diglucoside
ChEBI ID CHEBI:191797
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O16
Net Charge 0
Average Mass 612.537
Monoisotopic Mass 612.16903
InChI InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2
InChIKey LYZCSBKUDSHVOD-UHFFFAOYSA-N
SMILES O1C(OC2C(OC=3C(C2=O)=C(O)C=C(OC4OC(C(O)C(O)C4O)CO)C3)C5=CC=C(O)C=C5)C(O)C(O)C(O)C1CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Aromadendrin 3,7-diglucoside (CHEBI:191797) is a flavonoids (CHEBI:72544)
Aromadendrin 3,7-diglucoside (CHEBI:191797) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one
Manual Xref Database
HMDB0040559 HMDB
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