input word = C00043330

Metabolite InformationStructural formula
Name Bryostatin 20
Formula C41H60O15
Mw 792.39322125
CAS RN 623174-09-4
C_ID C00043330 ,
InChIKey CYISYNAHSIYBII-HHTQQHJZNA-N
InChICode InChI=1S/C41H60O15/c1-22(42)29-19-30-35-24(15-33(45)54-35)20-40(48,56-30)38(5,6)11-10-26-12-23(14-32(44)50-9)13-28(51-26)21-41(49)39(7,8)31(53-36(47)37(2,3)4)18-27(55-41)16-25(43)17-34(46)52-29/h10-11,14-15,22,25-31,35,42-43,48-49H,12-13,16-21H2,1-9H3/b11-10-,23-14+/t22-,25-,26+,27-,28+,29-,30-,31+,35+,40-,41+/m1/s1
SMILES [C@H]1(C([C@]2(O[C@@H](C1)C[C@H](CC(=O)O[C@H](C[C@H]1O[C@@](C(/C=C\[C@H]3C/C(=C\C(=O)OC)/C[C@@H](C2)O3)(C)C)(CC2=CC(=O)O[C@H]12)O)[C@@H](C)O)O)O)(C)C)OC(=O)C(C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBugulidaeBugula neritina Ref.
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OrganismBugula neritina
ReferenceLopanik,J.Nat.Prod.,67,(2004),1419