input word = C00023901

Metabolite InformationStructural formula
Name 11-Epifusidic acid
Formula C31H46O6
Mw 514.3294392
CAS RN 130000-32-3
C_ID C00023901 ,
InChIKey DEKASDKLVVYODQ-MRXIISIINA-N
InChICode InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-22,24-25,27,34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,24-,25-,27-,29-,30-,31-/m0/s1
SMILES C1C(=O)[C@H]([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@]2([C@@H](C[C@@H]1O)/C(=C(\CCC=C(C)C)/C(=O)O)/[C@H](C2)OC(=O)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fusidium coccineum Ref.
zoom in