Summary
SMILES: CC(CCCC1(C)CCC(=O)O1)CCCC(CCCC(C)C)CInChI: InChI=1S/C21H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-15-21(5)16-14-20(22)23-21/h17-19H,6-16H2,1-5H3InChIKey: LGWNRNDWDZHUNP-UHFFFAOYSA-N
DeepSMILES: CCCCCCC)CCC=O)O5))))))))CCCCCCCCC)C)))))C
Scaffold Graph/Node/Bond level: O=C1CCCO1
Scaffold Graph/Node level: OC1CCCO1
Scaffold Graph level: CC1CCCC1
Functional groups: COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Meroterpenoids
NP Classifier Class: Prenyl quinone meroterpenoids
Synonymous chemical names:4,8,12,16-tetramethyl-heptadecan-4-olide, 4,8,12,16-tetramethylheptadecan-4-olide
External chemical identifiers:CID:567149; SureChEMBL:SCHEMBL22773017
Chemical structure download