input word = C00028019

Metabolite InformationStructural formula
Name Cephalostatin 14
Formula C54H72N2O12
Mw 940.50852578
CAS RN 159602-64-9
C_ID C00028019 ,
InChIKey HDXIKQGPMMNJIT-UHFFFAOYNA-N
InChICode InChI=1S/C54H72N2O12/c1-25-30-16-43-54(66-43)49(30,24-64-52(25)40(60)21-44(3,4)67-52)39(59)18-37-47(7)20-36-34(14-28(47)11-12-50(37,54)62)55-35-19-46(6)27(13-33(35)56-36)9-10-29-31(46)15-38(58)48(8)32(29)17-42-51(48,63)26(2)53(65-42)41(61)22-45(5,23-57)68-53/h17-18,25-31,38,40-43,57-58,60-63H,9-16,19-24H2,1-8H3/t25-,26+,27+,28-,29-,30+,31-,38+,40+,41-,42+,43-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-/m0/s1
SMILES [C@@H]12CC[C@@]3(C(=CC(=O)[C@@]45[C@]63[C@H](C[C@@H]4[C@@H]([C@@]3(OC5)[C@@H](CC(O3)(C)C)O)C)O6)[C@@]1(Cc1c(C2)nc2c(n1)C[C@@H]1[C@](C2)([C@@H]2[C@H](CC1)C1=C[C@@H]3[C@]([C@]1([C@@H](C2)O)C)([C@H]([C@]1(O3)O[C@](C[C@@H]1O)(C)CO)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Cephalodiscus gilchristi Ref.
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