Summary
SMILES: O=C1O[C@@H]2C=C1CC[C@@H]1O[C@]1(C[C@H]1[C@H]2C(=C)C(=O)O1)CInChI: InChI=1S/C15H16O5/c1-7-12-9-5-8(14(17)18-9)3-4-11-15(2,20-11)6-10(12)19-13(7)16/h5,9-12H,1,3-4,6H2,2H3/t9-,10+,11+,12+,15+/m1/s1InChIKey: XASRCIGCTSZFAS-SQRMYFJTSA-N
DeepSMILES: O=CO[C@@H]C=C5CC[C@@H]O[C@]3C[C@H][C@H]%11C=C)C=O)O5))))))C
Scaffold Graph/Node/Bond level: C=C1C(=O)OC2CC3OC3CCC3=CC(OC3=O)C12
Scaffold Graph/Node level: CC1C(O)OC2CC3OC3CCC3CC(OC3O)C21
Scaffold Graph level: CC1CC2CC1CCC1CC1CC1CC(C)C(C)C21
Functional groups: C=C1CCOC1=O; CC1=CCOC1=O; C[C@@H]1O[C@]1(C)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Lactones
ClassyFire Subclass: Gamma butyrolactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Germacrane sesquiterpenoids
Synonymous chemical names:deoxymikanolide
External chemical identifiers:CID:14081913; ZINC:ZINC000238756303
Chemical structure download