input word = C00049519

Metabolite InformationStructural formula
Name Spicataxine
(+)-Spicataxine
Formula C37H51NO10
Mw 669.35129686
CAS RN 126585-86-2
C_ID C00049519 ,
InChIKey SSMQJZMZRRHBGA-UHFFFAOYNA-N
InChICode InChI=1S/C37H51NO10/c1-20-27(45-21(2)39)17-25-31(46-22(3)40)33-36(7,34(43)32(47-23(4)41)30(20)35(25,5)6)16-15-28(37(33)19-44-37)48-29(42)18-26(38(8)9)24-13-11-10-12-14-24/h10-14,25-28,31-34,43H,15-19H2,1-9H3/t25-,26-,27-,28-,31-,32+,33+,34+,36-,37-/m0/s1
SMILES CC(=O)OC1CC2C(OC(C)=O)C3C(C)(CCC(OC(=O)CC(c4ccccc4)N(C)C)C34CO4)C(O)C(OC(C)=O)C(=C1C)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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