EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197247 - Isorhamnetin 3-(4'''-p-coumarylrobinobioside)

ChEBI IDCHEBI:197247
ChEBI NameIsorhamnetin 3-(4'''-p-coumarylrobinobioside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](O)C3O)[C@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C37H38O18/c1-15-33(54-25(42)10-5-16-3-7-18(38)8-4-16)30(46)32(48)36(51-15)50-14-24-27(43)29(45)31(47)37(53-24)55-35-28(44)26-21(41)12-19(39)13-23(26)52-34(35)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27,29-33,36-41,43,45-48H,14H2,1-2H3/b10-5+/t15?,24?,27-,29?,30+,31?,32?,33-,36+,37-/m0/s1
InChIKeyBRALEKVBUFQYGS-MZXJROOZSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-(4'''-p-coumarylrobinobioside) (CHEBI:197247) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-(4'''-p-coumarylrobinobioside) (CHEBI:197247) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4R,6R)-6-[[(3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12112338LIPID MAPS
24845033ChemSpider