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

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ChEBI 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
ChEBI ID CHEBI:181537
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H42O7
Net Charge 0
Average Mass 442.593
Monoisotopic Mass 442.29305
InChI InChI=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)
InChIKey DQOOFQPFNNGTHL-UHFFFAOYSA-N
SMILES OC1(C2(C(C(C(CC2)C)(CCC(CCOC(=O)CCC(O)=O)C)C)CC(O)C1O)C)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
29814811 ChemSpider
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