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CHEBI:181537 - 4-[3-Methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid

ChEBI IDCHEBI:181537
ChEBI Name4-[3-Methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O7
Net Charge0
Average Mass442.593
Monoisotopic Mass442.29305
SMILESCC(CCOC(=O)CCC(=O)O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O
InChIInChI=1S/C24H42O7/c1-15(10-13-31-20(28)7-6-19(26)27)8-11-22(3)16(2)9-12-23(4)18(22)14-17(25)21(29)24(23,5)30/h15-18,21,25,29-30H,6-14H2,1-5H3,(H,26,27)
InChIKeyDQOOFQPFNNGTHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-Methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid (CHEBI:181537) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid
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