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 CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](OC(C)=O)[C@@H]1C[C@H]3C13C4N=C[C@](COC(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)(CC[C@@H]1OC)[C@H]3[C@H](OC)[C@@]42O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium pentagynum Ref.
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