CHEBI:184556 - Linoside A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Linoside A
ChEBI ID CHEBI:184556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H38O16
Net Charge 0
Average Mass 678.640
Monoisotopic Mass 678.21599
InChI InChI=1S/C32H38O16/c1-12-24(35)27(38)29(40)32(45-12)48-31-28(39)25(36)21(11-44-13(2)33)47-30(31)23-19(43-5)10-20-22(26(23)37)15(34)9-17(46-20)14-6-7-16(41-3)18(8-14)42-4/h6-10,12,21,24-25,27-32,35-40H,11H2,1-5H3/t12?,21?,24-,25+,27-,28-,29?,30-,31?,32-/m0/s1
InChIKey QRFPSEZAOACTEJ-ZCXUGSGBSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C(O)=C3C(OC(=CC3=O)C4=CC(OC)=C(OC)C=C4)=CC2OC)[H])COC(=O)C)[C@@H]5OC([C@H](O)[C@H](O)C5O)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 Linoside A (CHEBI:184556) is a C-glycosyl compound (CHEBI:20857)
Linoside A (CHEBI:184556) is a flavonoids (CHEBI:72544)
IUPAC Name
[(3S,4S,6S)-6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-6-yl]-3,4-dihydroxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24844012 ChemSpider
LMPK12111060 LIPID MAPS
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