input word = C00001654

Metabolite InformationStructural formula
Name Mesaconitine
Formula C33H45NO11
Mw 631.29926129
CAS RN 2752-64-9
C_ID C00001654 ,
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 COC[C@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@]1(OC(C)=O)[C@H]3[C@@H](OC(=O)c5ccccc5)[C@](O)(C[C@H]34)[C@@H](OC)[C@@H]1O)N(C)C2
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum altaicum Ref.
PlantaeRanunculaceaeAconitum calliantum Ref.
PlantaeRanunculaceaeAconitum carmichaeli Debx Ref.
PlantaeRanunculaceaeAconitum czekanovskyi Ref.
PlantaeRanunculaceaeAconitum faurei Ref.
PlantaeRanunculaceaeAconitum grossedentatum Ref.
PlantaeRanunculaceaeAconitum hakusanense Nakai Ref.
PlantaeRanunculaceaeAconitum ibukiense Nakai Ref.
PlantaeRanunculaceaeAconitum kamtschaticum Ref.
PlantaeRanunculaceaeAconitum kusnezoffii Ref.
PlantaeRanunculaceaeAconitum leucostomum Ref.
PlantaeRanunculaceaeAconitum makchangense Ref.
PlantaeRanunculaceaeAconitum mandschuricum Ref.
PlantaeRanunculaceaeAconitum manshuricum Ref.
PlantaeRanunculaceaeAconitum napellus Ref.
PlantaeRanunculaceaeAconitum tortuosum Ref.
PlantaeRanunculaceaeAconitum zuccarini Ref.
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OrganismAconitum kusnezoffii
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Wang, et al., Chinese Pharmaceutical Journal(Zhongguo Yaoxue Zazhi), 30, (1995), 716.

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Taki, et al., Planta Med, 69, (2003), 800.

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)