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CHEBI:182130 - [1-(7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate

ChEBI IDCHEBI:182130
ChEBI Name[1-(7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O9
Net Charge0
Average Mass526.667
Monoisotopic Mass526.31418
SMILESCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1
InChIInChI=1S/C28H46O9/c1-15(30)36-21(14-35-25-24(34)23(33)22(32)18(13-29)37-25)27(4)10-8-17-16(12-27)6-7-19-26(2,3)20(31)9-11-28(17,19)5/h12,17-25,29,31-34H,6-11,13-14H2,1-5H3
InChIKeyARNXUXYPWUWNPP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[1-(7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate (CHEBI:182130) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[1-(7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate