input word = C00001611

Metabolite InformationStructural formula
Name Aconitine
Formula C34H47NO11
Mw 645.31491135
CAS RN 302-27-2
C_ID C00001611 ,
InChIKey XFSBVAOIAHNAPC-VJCAGOBQNA-N
InChICode InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,31+,32-,33+,34+/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](C[C@H]1O)OC)[C@H]1[C@H]5[C@]([C@@H]([C@H]3OC)[C@H]4N(C2)CC)([C@H]([C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)O)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum altaicum Ref.
PlantaeRanunculaceaeAconitum balfourii Stapf. Ref.
PlantaeRanunculaceaeAconitum carmichaeli Debx Ref.
PlantaeRanunculaceaeAconitum karacolicum Ref.
PlantaeRanunculaceaeAconitum karakolicum Rap. Ref.
PlantaeRanunculaceaeAconitum kusnezoffii Reichb. Ref.
PlantaeRanunculaceaeAconitum manshuricum Ref.
PlantaeRanunculaceaeAconitum nagarum var.heterotrichum Ref.
PlantaeRanunculaceaeAconitum napellus Ref.
PlantaeRanunculaceaeAconitum pseudostapfinum W.T.Wang Ref.
PlantaeRanunculaceaeAconitum soongoricum Ref.
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