input word = C00025030

Metabolite InformationStructural formula
Name Vakognavine
Formula C34H37NO10
Mw 619.24174641
CAS RN 35127-49-2
C_ID C00025030 ,
InChIKey COSBAEJVJIUFND-GZEBWQPSNA-N
InChICode InChI=1S/C34H37NO10/c1-15-22-24(40)23-28-34-26(20(35(28)6)12-33(23,29(15)43-17(3)38)27(34)25(22)42-16(2)37)32(5,14-36)13-21(30(34)44-18(4)39)45-31(41)19-10-8-7-9-11-19/h7-11,14,20-23,25-30H,1,12-13H2,2-6H3/t20-,21-,22-,23+,25+,26-,27+,28+,29+,30+,32-,33+,34+/m0/s1
SMILES CN1[C@@H]2[C@H]3C(=O)[C@@H]4C(=C)[C@H]([C@@]53C[C@H]1[C@H]1[C@](C[C@H](OC(=O)c3ccccc3)[C@H]([C@]21[C@@H]5[C@@H]4OC(=O)C)OC(=O)C)(C)C=O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum palmatum Ref.
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