input word = C00028017

Metabolite InformationStructural formula
Name Cephalostatin 12
Formula C54H76N2O12
Mw 944.53982591
CAS RN 158371-96-1
C_ID C00028017 ,
InChIKey CMSVQVJAHCFCON-UHFFFAOYNA-N
InChICode InChI=1S/C54H76N2O12/c1-25-19-45(3,23-57)67-53(25)44(62)52(64)43(65-53)18-34-30-12-10-28-14-36-38(21-48(28,6)32(30)16-40(60)50(34,52)8)56-35-13-27-9-11-29-31(47(27,5)20-37(35)55-36)15-39(59)49(7)33(29)17-42-51(49,63)26(2)54(66-42)41(61)22-46(4,24-58)68-54/h17-18,25-32,39-44,57-64H,9-16,19-24H2,1-8H3/t25-,26+,27-,28-,29+,30+,31-,32-,39-,40+,41+,42+,43+,44-,45+,46+,47+,48+,49+,50-,51-,52+,53-,54-/m0/s1
SMILES CC1CC(C)(CO)OC12OC1C=C3C4CCC5Cc6nc7c(nc6CC5(C)C4CC(O)C3(C)C1(O)C2O)CC1CCC2C3=CC4OC5(OC(C)(CO)CC5O)C(C)C4(O)C3(C)C(O)CC2C1(C)C7
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Cephalodiscus gilchristi Ref.
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