input word = C00001644

Metabolite InformationStructural formula
Name Hypaconitine
Formula C33H45NO10
Mw 615.30434667
CAS RN 6900-87-4
C_ID C00001644 ,
InChIKey FIDOCHXHMJHKRW-BDJAKUOINA-N
InChICode InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,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@H]([C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)O)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum bullatifolium var.homotrichum Ref.
PlantaeRanunculaceaeAconitum callianthum Ref.
PlantaeRanunculaceaeAconitum calliantum Ref.
PlantaeRanunculaceaeAconitum carmichaeli Ref.
PlantaeRanunculaceaeAconitum coreanum Ref.
PlantaeRanunculaceaeAconitum czekanovskyi Ref.
PlantaeRanunculaceaeAconitum grossedentatum Ref.
PlantaeRanunculaceaeAconitum hakusanense Nakai Ref.
PlantaeRanunculaceaeAconitum japonicum Ref.
PlantaeRanunculaceaeAconitum kamtschaticum Ref.
PlantaeRanunculaceaeAconitum kusnezoffii Reichb. Ref.
PlantaeRanunculaceaeAconitum manshuricum Ref.
PlantaeRanunculaceaeAconitum napellus Ref.
PlantaeRanunculaceaeAconitum senanense Nakai Ref.
PlantaeRanunculaceaeAconitum tortuosum Ref.
PlantaeRanunculaceaeAconitum zuccarini Ref.
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OrganismAconitum callianthum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter19