input word =
C00001660
Metabolite Information
Structural formula
Name
Pseudaconitine
Formula
C36H51NO12
Mw
689.3411261
CAS RN
127-29-7
C_ID
C00001660 ,
InChIKey
YVPYMQHYESYLIR-FTLJTTCFNA-N
InChICode
InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28-,29-,30-,31-,33+,34+,35+,36+/m1/s1
SMILES
CCN1C[C@@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
L-Tyr
Secologanin
Organism
Kingdom
Family
Species
Reference
Plantae
Ranunculaceae
Aconitum balfourii Stapf.
Ref.
Plantae
Ranunculaceae
Aconitum falconeri
Ref.
Plantae
Ranunculaceae
Aconitum ferox
Ref.
Plantae
Ranunculaceae
Aconitum spicatum
Ref.
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