input word = C00023900

Metabolite InformationStructural formula
Name 3-Epifusidic acid
Formula C31H48O6
Mw 516.34508926
CAS RN 4680-36-7
C_ID C00023900 ,
InChIKey IECPWNUMDGFDKC-XQVGNNQANA-N
InChICode InChI=1S/C31H48O6/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/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23-,24+,25-,27-,29-,30-,31-/m0/s1
SMILES C1[C@@H]([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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fusidium coccineum Ref.
zoom in