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CHEBI:197057 - Pinocembrin 7-O-neohesperidoside 2'''-O-acetate

ChEBI IDCHEBI:197057
ChEBI NamePinocembrin 7-O-neohesperidoside 2'''-O-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O14
Net Charge0
Average Mass606.577
Monoisotopic Mass606.19486
SMILESCC(=O)OC1C(OC2C(Oc3cc(O)c4c(c3)OC(c3ccccc3)CC4=O)OC(CO)C(O)C2O)OC(C)C(O)C1O
InChIInChI=1S/C29H34O14/c1-12-22(34)24(36)26(39-13(2)31)28(38-12)43-27-25(37)23(35)20(11-30)42-29(27)40-15-8-16(32)21-17(33)10-18(41-19(21)9-15)14-6-4-3-5-7-14/h3-9,12,18,20,22-30,32,34-37H,10-11H2,1-2H3
InChIKeyGPMWTBPPRMHVGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Pinocembrin 7-O-neohesperidoside 2'''-O-acetate (CHEBI:197057) is a flavonoids (CHEBI:72544)
Pinocembrin 7-O-neohesperidoside 2'''-O-acetate (CHEBI:197057) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(5-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate
Manual XrefsDatabases
24846294ChemSpider
LMPK12140139LIPID MAPS