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 COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23C[C@@H]([C@@H]4CC[C@]56C=C(OC)[C@@H](OC(=O)[C@@](O)(CCC(C)(C)O)CC(=O)OC)[C@H]5c5cc7c(cc5CCN46)OCO7)C(=O)N2CCc2cc4c(cc2[C@H]13)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCephalotaxaceaeCephalotaxus harringtonia Ref.
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