input word = C00045503

Metabolite InformationStructural formula
Name 10-Deacetyl-10-oxo-7-epi-cephalomannine
(-)-10-Deacetyl-10-oxo-7-epi-cephalomannine
Formula C43H49NO13
Mw 787.32039066
CAS RN 213276-08-5
C_ID C00045503 ,
InChIKey CBCXLNKZLIRNPI-NIHYNWRLNA-N
InChICode InChI=1S/C43H49NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31,33-34,36,46,48,53H,19-21H2,1-7H3,(H,44,50)/b22-8+/t27-,28+,29+,31-,33+,34-,36-,41+,42-,43+/m0/s1
SMILES C(=O)(N[C@@H](c1ccccc1)[C@H](C(=O)O[C@@H]1C(=C2C([C@@](C1)([C@H]([C@H]1[C@](C(=O)C2=O)([C@@H](C[C@@H]2[C@]1(CO2)OC(=O)C)O)C)OC(=O)c1ccccc1)O)(C)C)C)O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
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