input word = C00028037

Metabolite InformationStructural formula
Name Chasmaconitine
Formula C34H47NO9
Mw 613.32508211
CAS RN 6846-46-4
C_ID C00028037 ,
InChIKey SENAVQJHBYGFIW-UHFFFAOYNA-N
InChICode InChI=1S/C34H47NO9/c1-7-35-17-31(18-39-3)14-13-22(40-4)34-21-15-32(38)23(41-5)16-33(44-19(2)36,25(28(34)35)26(42-6)27(31)34)24(21)29(32)43-30(37)20-11-9-8-10-12-20/h8-12,21-29,38H,7,13-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,31+,32+,33-,34+/m1/s1
SMILES N1(C[C@]2([C@@H]3[C@@]4([C@H]1[C@H]([C@@H]3OC)[C@@]1([C@@H]3[C@H]4C[C@]([C@H](C1)OC)([C@H]3OC(=O)c1ccccc1)O)OC(=O)C)[C@@H](CC2)OC)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum chasmanthum Stapf. Ref.
PlantaeRanunculaceaeAconitum hemslevanum Protiz var.pengshinese W.J.Zhang Ref.
PlantaeRanunculaceaeAconitum karakolicum Rap. Ref.
PlantaeRanunculaceaeAconitum longtounens T.L.Ming. Ref.
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