CHEBI:181504 - 4-[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid

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ChEBI Name 4-[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid
ChEBI ID CHEBI:181504
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H40O5
Net Charge 0
Average Mass 408.579
Monoisotopic Mass 408.28757
InChI InChI=1S/C24H40O5/c1-16(12-13-29-22(28)11-10-21(26)27)6-8-19-17(2)7-9-20-23(3,4)14-18(25)15-24(19,20)5/h16,18-20,25H,2,6-15H2,1,3-5H3,(H,26,27)
InChIKey RJFVWGBZBUWHAM-UHFFFAOYSA-N
SMILES OC1CC2(C(C(C1)(C)C)CCC(C2CCC(CCOC(=O)CCC(O)=O)C)=C)C
ChEBI Ontology
Outgoing 4-[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid (CHEBI:181504) is a diterpenoid (CHEBI:23849)
IUPAC Name
4-[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid
Manual Xref Database
29814840 ChemSpider
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