CHEBI:184487 - Hexandraside E

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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 Hexandraside E
ChEBI ID CHEBI:184487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38O16
Net Charge 0
Average Mass 678.640
Monoisotopic Mass 678.21599
InChI InChI=1S/C32H38O16/c1-12(2)3-8-15-17(44-31-26(42)24(40)21(37)18(10-33)45-31)9-16(36)20-23(39)30(28(47-29(15)20)13-4-6-14(35)7-5-13)48-32-27(43)25(41)22(38)19(11-34)46-32/h3-7,9,18-19,21-22,24-27,31-38,40-43H,8,10-11H2,1-2H3/t18?,19?,21-,22-,24+,25?,26?,27?,31-,32+/m1/s1
InChIKey SLUGZPRLJCECEX-RFKUPWJGSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(=C(O[C@@H]4OC([C@@H](O)C(O)C4O)CO)C(=O)C3C(O)=C2)C5=CC=C(O)C=C5)CC=C(C)C)CO
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 Hexandraside E (CHEBI:184487) is a flavonoids (CHEBI:72544)
Hexandraside E (CHEBI:184487) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24844459 ChemSpider
LMPK12111715 LIPID MAPS
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