input word = C00038654

Metabolite InformationStructural formula
Name Bryostatin 1
Formula C47H68O17
Mw 904.44565075
CAS RN 83314-01-6
C_ID C00038654 ,
InChIKey MJQUEDHRCUIRLF-CGIGMDONNA-N
InChICode InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
SMILES C\1(=C/C(=O)OC)/C[C@H]2O[C@@H](C1)C[C@@]1(O[C@@H](C[C@@H](C1(C)C)OC(=O)C)C[C@H](CC(=O)O[C@H](C[C@H]1O[C@@](C(/C=C/2)(C)C)([C@H](/C(=C/C(=O)OC)/C1)OC(=O)/C=C/C=C/CCC)O)[C@@H](C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBugulidaeBugula neritina Ref.
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