CHEBI:197133 - 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)

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 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)
ChEBI ID CHEBI:197133
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H36O19
Net Charge 0
Average Mass 772.665
Monoisotopic Mass 772.18508
InChI InChI=1S/C36H36O19/c37-12-23-28(44)32(48)34(55-35-33(49)31(47)29(45)24(54-35)13-50-25(42)8-3-14-1-5-16(38)6-2-14)36(53-23)52-22-11-21-26(30(46)27(22)43)19(41)10-20(51-21)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,43-49H,12-13H2/b8-3+/t23?,24?,28-,29-,31+,32+,33?,34?,35+,36-/m1/s1
InChIKey WGFOYPJYVNYXOJ-JJRGMJHVSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=C2)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) (CHEBI:197133) is a flavonoids (CHEBI:72544)
6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) (CHEBI:197133) is a glycoside (CHEBI:24400)
IUPAC Name
[(3S,4S,6S)-6-[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xrefs Databases
24844117 ChemSpider
LMPK12111194 LIPID MAPS
View more database links