input word = C00035463

Metabolite InformationStructural formula
Name 14-Demethyl-14-acetylanhweidelphinine
Formula C36H44N2O11
Mw 680.29451026
CAS RN 767355-98-6
C_ID C00035463 ,
InChIKey FOPKCIPFTIDUJD-ZKERALMJNA-N
InChICode InChI=1S/C36H44N2O11/c1-17-12-25(40)38(30(17)41)22-9-7-6-8-19(22)31(42)48-16-33-11-10-24(46-4)35-21-13-20-23(45-3)14-34(43,26(21)27(20)49-18(2)39)36(44,32(35)37-15-33)29(47-5)28(33)35/h6-9,15,17,20-21,23-24,26-29,32,43-44H,10-14,16H2,1-5H3/t17-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1
SMILES [C@H]12[C@@]3([C@H]([C@H]4[C@]2([C@@H]2C[C@@H]5[C@H](C[C@]3([C@H]2[C@H]5OC(=O)C)O)OC)[C@H](CC[C@]4(C=N1)COC(=O)c1c(cccc1)N1C(=O)[C@H](CC1=O)C)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium pentagynum Ref.
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