CHEBI:134704 - monoxerutin

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ChEBI Name monoxerutin
ChEBI ID CHEBI:134704
Stars This entity has been manually annotated by a third party.
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Formula C29H34O17
Net Charge 0
Average Mass 654.571
Monoisotopic Mass 654.17960
InChI InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
InChIKey MBHXKZDTQCSVPM-BDAFLREQSA-N
SMILES O(C1=C(OC=2C(C1=O)=C(O)C=C(C2)OCCO)C3=CC(O)=C(C=C3)O)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O
ChEBI Ontology
Outgoing monoxerutin (CHEBI:134704) is a flavonoids (CHEBI:72544)
monoxerutin (CHEBI:134704) is a glycoside (CHEBI:24400)
Manual Xref Database
1835 DrugCentral
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Registry Number Type Source
23869-24-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017