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CHEBI:182446 - [(3E,10E)-13-hydroxy-3,6,6,14-tetramethyl-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] acetate

ChEBI IDCHEBI:182446
ChEBI Name[(3E,10E)-13-hydroxy-3,6,6,14-tetramethyl-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O10
Net Charge0
Average Mass538.634
Monoisotopic Mass538.27780
SMILESCC(=O)OC12CC(C)C(O)C1/C=C(/COC1OC(CO)C(O)C(O)C1O)CCC1C(/C=C(\C)C2=O)C1(C)C
InChIInChI=1S/C28H42O10/c1-13-8-18-17(27(18,4)5)7-6-16(12-36-26-24(34)23(33)22(32)20(11-29)37-26)9-19-21(31)14(2)10-28(19,25(13)35)38-15(3)30/h8-9,14,17-24,26,29,31-34H,6-7,10-12H2,1-5H3/b13-8+,16-9+
InChIKeyWJZFXCPBSLOUNH-CTWANCMXSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3E,10E)-13-hydroxy-3,6,6,14-tetramethyl-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] acetate (CHEBI:182446) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[(3E,10E)-13-hydroxy-3,6,6,14-tetramethyl-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] acetate