input word = C00050035

Metabolite InformationStructural formula
Name Cephalostatin 18
Formula C55H76N2O11
Mw 940.54491128
CAS RN 211050-18-9
C_ID C00050035 ,
InChIKey HJTADJIVGZRTHF-ZFPQLJCENA-N
InChICode InChI=1S/C55H76N2O11/c1-26-32-14-15-33-30-13-11-29-17-38-45(46(64-9)50(29,7)35(30)19-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)57-37-16-28-10-12-31-34(49(28,6)21-39(37)56-38)18-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,40+,42+,43+,44-,46-,48-,49-,50-,51+,52+,53+,54+,55-/m0/s1
SMILES C1[C@@H]2[C@@H]([C@@]3([C@@H](C1)Cc1c(C3)nc3c(n1)[C@@H]([C@]1([C@H](C3)CC[C@@H]3[C@@H]1CC(=O)[C@@]14C3=CC[C@@H]1[C@@H]([C@]1(OC4)[C@@H](CC(O1)(C)C)O)C)C)OC)C)C[C@H]([C@]1(C2=C[C@H]2[C@@]1([C@@H]([C@]1(O2)O[C@@](C[C@H]1O)(CO)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
--Cephalodiscus gilchristi Ref.
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