input word = C00024860

Metabolite InformationStructural formula
Name Crassicauline B
Formula C27H31NO4
Mw 433.22530849
CAS RN 79620-39-6
C_ID C00024860 ,
InChIKey PVXMEZPXMNKCAW-VXUOVGQINA-N
InChICode InChI=1S/C27H31NO4/c1-13-11-26-16-10-15(13)20(32-24(31)14-6-4-3-5-7-14)18(26)22-27(16)17(29)8-9-25(2)12-28(22)19(21(25)27)23(26)30/h3-7,15-23,29-30H,1,8-12H2,2H3/t15-,16+,17+,18+,19+,20+,21+,22+,23+,25+,26+,27-/m0/s1
SMILES C1[C@H]([C@]23[C@@H]4[C@@H]5[C@H]([C@]67[C@H]2C[C@@H](C(=C)C7)[C@H]([C@@H]6[C@H]3N5C[C@@]4(C)C1)OC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp IPP
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum crassicaule Ref.
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OrganismAconitum crassicaule
ReferenceWang,Planta Med.,(1985),357