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CHEBI:181636 - 2,3-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

ChEBI IDCHEBI:181636
ChEBI Name2,3-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O11
Net Charge0
Average Mass530.611
Monoisotopic Mass530.27271
SMILESCC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(CO)(OC1OC(CO)C(O)C(O)C1O)C3
InChIInChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)35)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(10-25,11-28)37-21-17(31)16(30)15(29)13(9-27)36-21/h12-21,27-33H,3-11H2,1-2H3,(H,34,35)
InChIKeyQUCGBWQRLWOVBR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid (CHEBI:181636) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid