input word = C00055217

Metabolite InformationStructural formula
Name Azaspiracid 14
Formula C47H71NO14
Mw 873.48745598
CAS RN 1021443-12-8
C_ID C00055217
InChIKey KFQUKMVADHXVAF-WJQBTMPISA-N
InChICode InChI=1S/C47H71NO14/c1-24-16-35-41-37(22-45(60-41)27(4)15-25(2)23-48-45)58-44(20-24,57-35)21-26(3)40-29(6)39(52)30(7)47(54,61-40)42(53)36-19-34-33(55-36)17-28(5)46(59-34)14-13-43(62-46)12-8-9-32(56-43)11-10-31(49)18-38(50)51/h8-11,24-25,27-37,39-42,48-49,52-54H,3,12-23H2,1-2,4-7H3,(H,50,51)/b11-10+/t24-,25+,27-,28+,29-,30+,31?,32-,33+,34+,35+,36-,37+,39+,40+,41+,42+,43-,44-,45-,46+,47+/m0/s1
SMILES C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@@]4(CC[C@]5(CC=C[C@@H](/C=C/C(O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)[C@H](O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mytilus edulis Ref.
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