input word = C00027132

Metabolite InformationStructural formula
Name Bis-cephalezomine B
(-)-Biscephalezomine B
Formula C57H72N2O19
Mw 1088.47292814
CAS RN 769120-41-4
C_ID C00027132 ,
InChIKey HXKYKLZDQVLYKM-WXUDIWSJNA-N
InChICode InChI=1S/C57H72N2O19/c1-52(2,65)13-9-14-56(67,27-43(60)71-7)50(63)78-48-42(70-6)26-55-24-35(49(62)59(55)19-12-32-21-38-40(76-30-74-38)23-34(32)46(48)55)36-10-15-54-25-41(69-5)47(77-51(64)57(68,28-44(61)72-8)17-16-53(3,4)66)45(54)33-22-39-37(73-29-75-39)20-31(33)11-18-58(36)54/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@@](CCC(C)(O)C)(CC(=O)OC)O)OC)CC3)OCO6)C=C([C@H]1OC(=O)[C@@](CCCC(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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