Summary
SMILES: O=C1O[C@@H]2C=C1[C@H]1O[C@H]1[C@@H]1O[C@]1(C[C@H]1[C@H]2C(=C)C(=O)O1)CInChI: InChI=1S/C15H14O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,7-12H,1,4H2,2H3/t7-,8+,9+,10-,11-,12+,15+/m1/s1InChIKey: JRZGAAFGODYEEA-ATNXOXLHSA-N
DeepSMILES: O=CO[C@@H]C=C5[C@H]O[C@H]3[C@@H]O[C@]3C[C@H][C@H]%12C=C)C=O)O5))))))C
Scaffold Graph/Node/Bond level: C=C1C(=O)OC2CC3OC3C3OC3C3=CC(OC3=O)C12
Scaffold Graph/Node level: CC1C(O)OC2CC3OC3C3OC3C3CC(OC3O)C21
Scaffold Graph level: CC1CC2CC3CC3C3CC3C3CC(CC3C)C2C1C
Functional groups: C=C1CCOC1=O; C[C@]1(C)O[C@H]1[C@@H]1O[C@@H]1C1=CCOC1=O
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:mikanolide
External chemical identifiers:CID:442282; ChEBI:6936; ZINC:ZINC000004098155
Chemical structure download