input word = C00001858

Metabolite InformationStructural formula
Name Fetidine
Formula C40H46N2O8
Mw 682.32541646
CAS RN 7072-86-8
C_ID C00001858 ,
InChIKey IBHSRCBKJMEBQB-ISAJXQSXNA-N
InChICode InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29+/m1/s1
SMILES c1(c(c2c3c(c1)CCN([C@H]3Cc1c2cc(c(c1)Oc1c(c(ccc1C[C@@H]1c2c(CCN1C)cc(c(c2)OC)OC)OC)OC)OC)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum foetidum Ref.
zoom in