input word = C00055218

Metabolite InformationStructural formula
Name Azaspiracid 15
Formula C47H71NO14
Mw 873.48745598
CAS RN 1021443-13-9
C_ID C00055218
InChIKey PFBUPYAQJCUTTM-DFKIJDRYSA-N
InChICode InChI=1S/C47H71NO14/c1-24-13-32(9-8-31(49)16-39(51)52)56-43(18-24)10-11-47(62-43)29(6)15-34-35(59-47)17-37(55-34)42(53)46(54)21-33(50)30(7)40(61-46)27(4)20-44-19-25(2)14-36(57-44)41-38(58-44)22-45(60-41)28(5)12-26(3)23-48-45/h8-9,13,25-26,28-38,40-42,48-50,53-54H,4,10-12,14-23H2,1-3,5-7H3,(H,51,52)/b9-8+/t25-,26+,28-,29+,30-,31?,32+,33-,34+,35+,36+,37-,38+,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[C@@H](/C=C/C(O)CC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)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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