input word = C00001647

Metabolite InformationStructural formula
Name Indaconitine
Formula C34H47NO10
Mw 629.31999673
CAS RN 4491-19-4
C_ID C00001647 ,
InChIKey PHDZNMWTZQPAEW-RMPBKRKKNA-N
InChICode InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,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[C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum chasmanthum Ref.
PlantaeRanunculaceaeAconitum falconeri Ref.
PlantaeRanunculaceaeAconitum ferox Ref.
PlantaeRanunculaceaeAconitum hemslevanum Protiz var.pengshinese W.J.Zhang Ref.
PlantaeRanunculaceaeAconitum hemsleyanum PRITZ Ref.
PlantaeRanunculaceaeAconitum karakolicum Rap. Ref.
PlantaeRanunculaceaeAconitum violaceum Ref.
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OrganismAconitum violaceum
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11.

Fujita, et al., Phytochemistry, 37, (1994), 543