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CHEBI:168998 - gamma-CEHC Glc

ChEBI IDCHEBI:168998
ChEBI Namegamma-CEHC Glc
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILESCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc2c(c1C)OC(C)(CCC(=O)O)CC2
InChIInChI=1S/C21H30O9/c1-10-11(2)19-12(4-6-21(3,30-19)7-5-15(23)24)8-13(10)28-20-18(27)17(26)16(25)14(9-22)29-20/h8,14,16-18,20,22,25-27H,4-7,9H2,1-3H3,(H,23,24)/t14?,16-,17+,18?,20-,21?/m1/s1
InChIKeyPZTKNFACMQBZBL-RDBLRTHZSA-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)
gamma-CEHC Glc (CHEBI:168998) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[2,7,8-trimethyl-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-yl]propanoic acid
Manual XrefsDatabases
24846863ChemSpider
LMPR02020053LIPID MAPS