Secondary metabolite: Agrocybolacton



Agrocybolacton
Summary
Molecular formula: C15H20O4
SMILES: O[C@H]1CCC([C@H]2[C@@]31C(=O)O[C@@H]1[C@H]3C(=CC2)CO1)(C)C
InChI: InChI=1S/C15H20O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-12,16H,4-7H2,1-2H3/t9-,10-,11+,12+,15-/m0/s1
InChIKey: FUNRAISQDFOMFQ-RSPOJEKHSA-N
Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2OCC3=CCC4CCCCC14C32

Scaffold Graph/Node level:
OC1OC2OCC3CCC4CCCCC41C32

Scaffold Graph level:
CC1CC2CCC3CCC4CCCCC14C32
Chemical classification
Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Furofurans
Synonymous chemical names:
agrocybolacton
External chemical identifiers:
CID_10355437; NPATLAS_NPA005310; ZINC_ZINC000038600747
Chemical structure download

Designed by R.P. Vivek-Ananth, M Karthikeyan and Ajaya Kumar Sahoo