CHEBI:184497 - Linoside B

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 B
ChEBI ID CHEBI:184497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O15
Net Charge 0
Average Mass 636.603
Monoisotopic Mass 636.20542
InChI InChI=1S/C30H36O15/c1-11-22(33)25(36)27(38)30(42-11)45-29-26(37)23(34)19(10-31)44-28(29)21-17(41-4)9-18-20(24(21)35)13(32)8-15(43-18)12-5-6-14(39-2)16(7-12)40-3/h5-9,11,19,22-23,25-31,33-38H,10H2,1-4H3/t11?,19?,22-,23+,25-,26-,27?,28-,29?,30-/m0/s1
InChIKey SHCSQYSECQXBOS-VBSVIYIXSA-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])CO)[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 B (CHEBI:184497) is a C-glycosyl compound (CHEBI:20857)
Linoside B (CHEBI:184497) is a flavonoids (CHEBI:72544)
IUPAC Name
6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Manual Xrefs Databases
24844011 ChemSpider
LMPK12111059 LIPID MAPS
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