input word = C00027133

Metabolite InformationStructural formula
Name Bis-cephalezomine D
Formula C57H72N2O19
Mw 1088.47292814
CAS RN 769120-42-5
C_ID C00027133 ,
InChIKey UMHJWPUXUGZLSA-VNXNYTIDNA-N
InChICode InChI=1S/C57H72N2O19/c1-30(2)10-17-57(68,48(61)50(63)72-8)52(65)78-47-42(70-6)26-55-24-35(49(62)59(55)19-13-32-21-38-40(76-29-74-38)23-34(32)45(47)55)36-11-16-54-25-41(69-5)46(77-51(64)56(67,27-43(60)71-7)15-9-14-53(3,4)66)44(54)33-22-39-37(73-28-75-39)20-31(33)12-18-58(36)54/h20-23,25-26,30,35-36,44-48,61,66-68H,9-19,24,27-29H2,1-8H3/t35-,36-,44+,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@]23CC[C@@H]([C@@H]4C[C@]56C=C(OC)[C@@H](OC(=O)[C@](O)(CCC(C)C)[C@H](O)C(=O)OC)[C@H]5c5cc7c(cc5CCN6C4=O)OCO7)N2CCc2cc4c(cc2[C@H]13)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCephalotaxaceaeCephalotaxus harringtonia Ref.
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