input word = C00055225

Metabolite InformationStructural formula
Name Azaspiracid 7
Formula C47H71NO13
Mw 857.49254136
CAS RN 629656-50-4
C_ID C00055225
InChIKey FVMPULMAWOZJPY-SPMYZIKNSA-N
InChICode InChI=1S/C47H71NO13/c1-25-16-36-41-38(23-45(59-41)29(5)15-26(2)24-48-45)57-44(21-25,56-36)22-28(4)40-27(3)17-31(7)47(53,60-40)42(52)37-20-35-34(54-37)18-30(6)46(58-35)14-13-43(61-46)12-8-9-33(55-43)11-10-32(49)19-39(50)51/h8,10-12,25-27,29-38,40-42,48-49,52-53H,4,9,13-24H2,1-3,5-7H3,(H,50,51)/b11-10+/t25-,26+,27+,29-,30+,31-,32+,33+,34+,35+,36+,37-,38+,40+,41+,42+,43+,44-,45-,46-,47-/m1/s1
SMILES OC(C[C@@H](O)/C=C/[C@H]1O[C@@]2(CC[C@@]3(O[C@]4(C[C@@](O[C@@]4([H])C[C@@H]3C)([C@H](O)[C@@]5(O)[C@H](C)C[C@H](C)[C@@H](C(C[C@@]67O[C@H]([C@@]8([H])[C@@](O7)(C[C@]9([C@H](C)C[C@H](C)CN9)O8)[H])C[C@@H](C)C6)=C)O5)[H])[H])O2)C=CC1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mytilus edulis Ref.
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