input word = C00039907

Metabolite InformationStructural formula
Name Orochrine
Formula C21H28NO3
Mw 342.20691877
CAS RN 959906-92-4
C_ID C00039907 ,
InChIKey KDHGYUOFGRMPSD-LWEKJAGUNA-N
InChICode InChI=1S/C21H28NO3/c1-10-5-19-8-21(25)17-18(2)6-11(23)7-20(17)13(19)4-12(10)15(24)14(19)16(20)22(21,3)9-18/h11-14,16-17,23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14+,16+,17+,18-,19+,20-,21+/m0/s1
SMILES [C@]12([N@@]3([C@@H]4[C@H]5C(=O)[C@@H]6C(=C)C[C@@]5(C2)[C@H]([C@@]24[C@H]1[C@](C3)(C[C@@H](C2)O)C)C6)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum orochryseum Ref.
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