input word = C00049518

Metabolite InformationStructural formula
Name Spicaledonine
Formula C37H49NO10
Mw 667.33564679
CAS RN 126617-13-8
C_ID C00049518 ,
InChIKey XYWMVQVOXQGCCB-UHFFFAOYNA-N
InChICode InChI=1S/C37H49NO10/c1-19-26(42)18-25-30(45-21(3)39)37-20(2)27(48-33(44)29(43)28(38(9)10)24-14-12-11-13-15-24)16-17-35(37,8)31(46-22(4)40)32(47-23(5)41)36(19,37)34(25,6)7/h11-15,19,25,27-32,43H,2,16-18H2,1,3-10H3/t19-,25+,27+,28-,29-,30-,31+,32-,35-,36-,37-/m0/s1
SMILES C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CCC2(C)C(OC(C)=O)C(OC(C)=O)C34C(C)C(=O)CC(C(OC(C)=O)C123)C4(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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