input word = C00001617

Metabolite InformationStructural formula
Name Avadharidine
Formula C36H51N3O10
Mw 685.35744487
CAS RN 509-16-0
C_ID C00001617 ,
InChIKey ZBALYAJAWGGUCX-XMIYQMAXNA-N
InChICode InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24+,27-,28+,29-,30-,32+,33+,34-,35+,36-/m1/s1
SMILES c1(ccccc1C(=O)OC[C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@]([C@@H]3OC)(O)[C@H]4N(C2)CC)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)NC(=O)CCC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum finetianum Ref.
PlantaeRanunculaceaeAconitum orientale Ref.
PlantaeRanunculaceaeDelphinium cashmirianum Ref.
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