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CHEBI:181510 - 3-[(Z)-5-[6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid

ChEBI IDCHEBI:181510
ChEBI Name3-[(Z)-5-[6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O11
Net Charge0
Average Mass570.676
Monoisotopic Mass570.30401
SMILESC=C1C(OC2OC(CO)C(O)C(O)C2O)CC2C(C)(C)C(O)CCC2(C)C1CC/C(C)=C\COC(=O)CC(=O)O
InChIInChI=1S/C29H46O11/c1-15(9-11-38-23(34)13-22(32)33)6-7-17-16(2)18(12-20-28(3,4)21(31)8-10-29(17,20)5)39-27-26(37)25(36)24(35)19(14-30)40-27/h9,17-21,24-27,30-31,35-37H,2,6-8,10-14H2,1,3-5H3,(H,32,33)/b15-9-
InChIKeyAPZDDWSEXQOLKA-DHDCSXOGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(Z)-5-[6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid (CHEBI:181510) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
3-[(Z)-5-[6-hydroxy-5,5,8a-trimethyl-2-methylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid