input word = C00027131

Metabolite InformationStructural formula
Name Bis-cephalezomine A
Biscephalezomine A
Formula C57H72N2O19
Mw 1088.47292814
CAS RN 769120-40-3
C_ID C00027131 ,
InChIKey VHNHMAJJJNEADY-WXUDIWSJNA-N
InChICode InChI=1S/C57H72N2O19/c1-52(2,65)13-9-14-56(67,27-43(60)71-7)50(63)77-47-41(69-5)25-54-15-10-36(58(54)18-11-31-20-37-39(75-29-73-37)22-33(31)45(47)54)35-24-55-26-42(70-6)48(78-51(64)57(68,28-44(61)72-8)17-16-53(3,4)66)46(55)34-23-40-38(74-30-76-40)21-32(34)12-19-59(55)49(35)62/h20-23,25-26,35-36,45-48,65-68H,9-19,24,27-30H2,1-8H3/t35-,36-,45+,46+,47+,48+,54?,55?,56+,57+/m0/s1
SMILES c12c(cc3c(c1)[C@H]1[C@]4(N(CC3)C(=O)[C@@H](C4)[C@H]3N4CCc5cc6c(cc5[C@H]5[C@]4(C=C([C@H]5OC(=O)[C@@](CCCC(C)(O)C)(CC(=O)OC)O)OC)CC3)OCO6)C=C([C@H]1OC(=O)[C@@](CCC(C)(O)C)(CC(=O)OC)O)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCephalotaxaceaeCephalotaxus harringtonia Ref.
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