input word = C00025025

Metabolite InformationStructural formula
Name Torokonine
Formula C27H31NO5
Mw 449.22022311
CAS RN 110397-61-0
C_ID C00025025 ,
InChIKey XTEJUMNLNFNNRO-WHXWPVRPNA-N
InChICode InChI=1S/C27H31NO5/c1-13-15-8-17-20-25-11-16(33-23(31)14-6-4-3-5-7-14)10-24(2)12-28(20)18(19(24)25)22(30)27(17,21(13)29)26(25,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16-,17+,18+,19+,20+,21+,22+,24-,25+,26+,27-/m0/s1
SMILES C=C1[C@H]2C[C@@H]3C4N5C[C@]6(C)C[C@H](OC(=O)c7ccccc7)C[C@@]47[C@@H]6[C@@H]5[C@@H](O)C3([C@@H]1O)[C@@]7(O)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum subcuneatum Ref.
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