input word = C00049496

Metabolite InformationStructural formula
Name Nicotaxine
(+)-Nicotaxine
Formula C30H37NO9
Mw 555.24683179
CAS RN 126585-94-2
C_ID C00049496 ,
InChIKey KKFCJNGKHYRAPZ-UHFFFAOYNA-N
InChICode InChI=1S/C30H37NO9/c1-15-20(34)12-19-23(38-16(2)32)25-29(6,10-9-21(35)30(25)14-37-30)26(40-27(36)18-8-7-11-31-13-18)24(39-17(3)33)22(15)28(19,4)5/h7-8,11,13,19,21,23-26,35H,9-10,12,14H2,1-6H3/t19-,21+,23+,24+,25-,26-,29-,30-/m0/s1
SMILES CC(=O)OC1C2=C(C)C(=O)CC(C(OC(C)=O)C3C(C)(CCC(O)C34CO4)C1OC(=O)c1cccnc1)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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