CHEBI:186553 - Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside

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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 Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
ChEBI ID CHEBI:186553
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38O14
Net Charge 0
Average Mass 646.642
Monoisotopic Mass 646.22616
InChI InChI=1S/C32H38O14/c1-12(2)5-10-17-18(34)11-19(35)20-23(38)29(27(44-28(17)20)15-6-8-16(33)9-7-15)45-32-30(25(40)22(37)14(4)43-32)46-31-26(41)24(39)21(36)13(3)42-31/h5-9,11,13-14,21-22,24-26,30-37,39-41H,10H2,1-4H3/t13?,14?,21-,22-,24?,25?,26-,30-,31-,32-/m0/s1
InChIKey ZRCODBBSMJOEAY-UQSYPMJCSA-N
SMILES O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(O)C=C4)C)[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:186553) is a flavonoids (CHEBI:72544)
Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:186553) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
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