input word = C00038962

Metabolite InformationStructural formula
Name Delavaconine
Formula C22H35NO5
Mw 393.25152324
CAS RN 1356-51-0
C_ID C00038962 ,
InChIKey HDJXHFQXBLLNBR-UHFFFAOYNA-N
InChICode InChI=1S/C22H35NO5/c1-4-23-10-11-5-6-15(27-2)22-12(11)7-13(18(22)23)20(25)9-16(28-3)21(26)8-14(22)17(20)19(21)24/h11-19,24-26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18+,19-,20-,21-,22-/m0/s1
SMILES [C@@H]12[C@H]3N(C[C@H]4[C@H]([C@]3([C@@H]3C[C@@]5([C@@H](C[C@]2([C@H]3[C@@H]5O)O)OC)O)[C@H](CC4)OC)C1)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum toxicum Ref.
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