input word = C00027706

Metabolite InformationStructural formula
Name 1-Epicrassicaudine
Formula C34H47NO8
Mw 597.33016749
CAS RN 163083-76-9
C_ID C00027706 ,
InChIKey YVVFVJVAHWNXNY-UHFFFAOYNA-N
InChICode InChI=1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(43-19(2)36,26(30(34)35)28(41-6)29(32)34)25(22)27(21)42-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3/t21-,22-,23-,24+,25-,26+,27-,28+,29-,30-,32+,33-,34+/m1/s1
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
Start Substs in Alk. Biosynthesis (Prediction) Secologanin L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemslevanum Protiz var.pengshinese W.J.Zhang Ref.
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