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CHEBI:169551 - Orientin 2''-O-xyloside-6''-ferulate

ChEBI IDCHEBI:169551
ChEBI NameOrientin 2''-O-xyloside-6''-ferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O18
Net Charge0
Average Mass756.666
Monoisotopic Mass756.19016
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O[C@@H](COC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)C(O)C1O[C@@H]1OC[C@@H](O)C(O)C1O
InChIInChI=1S/C36H36O18/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-30(46)31(47)35(54-36-32(48)29(45)22(43)12-51-36)34(53-25)28-20(41)10-19(40)27-21(42)11-23(52-33(27)28)15-4-6-16(37)18(39)9-15/h2-11,22,25,29-32,34-41,43,45-48H,12-13H2,1H3/b7-3+/t22-,25+,29?,30-,31?,32?,34+,35?,36+/m1/s1
InChIKeyUUPRXDTUNKUSFL-CVYCMDSISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) is a C-glycosyl compound (CHEBI:20857)
Orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxy-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
24843551ChemSpider
LMPK12110513LIPID MAPS