input word = C00001633

Metabolite InformationStructural formula
Name Delphinine
Formula C33H45NO9
Mw 599.30943204
CAS RN 561-07-9
C_ID C00001633 ,
InChIKey REVYTWNGZDPRKE-FQJJPYCXNA-N
InChICode InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25-,26-,27-,28-,30+,31+,32+,33+/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@]([C@@H]([C@H]3OC)[C@H]4N(C2)C)(C[C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAtragene sibirica Ref.
PlantaeRanunculaceaeDelphinium ajacis Ref.
PlantaeRanunculaceaeDelphinium elatum Ref.
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
PlantaeRanunculaceaeDelphinium staphisagra Ref.
PlantaeRanunculaceaeDelphinium staphisagria Ref.
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