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Substance Name: Azaspiracid
RN: 214899-21-5
InChIKey: AHFHSIVCLPAESC-JDCGRGRDSA-N

Note

  • A toxin from mussels produced in Ireland that caused multiple organ damage

Molecular Formula

  • C47-H71-N-O12

Molecular Weight

  • 842.0729
 
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Names and Synonyms

Name of Substance

  • Azaspiracid

Synonyms

  • Azaspiracid
  • Azaspiracid 1
  • Azaspiracid-1
  • HSDB 7435

Registry Numbers

CAS Registry Number

  • 214899-21-5

System Generated Number

  • 0214899215

Structure Descriptors

InChI

1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-11,14,26-28,30-38,40-42,48,51-52H,4,9,12-13,15-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28-,30-,31+,32+,33+,34+,35+,36?,37-,38+,40-,41+,42+,43-,44-,45-,46+,47+/m0/s1

InChIKey

AHFHSIVCLPAESC-JDCGRGRDSA-N

Smiles

C[C@@H]1C[C@@H]([C@@]2(C[C@@H]3[C@H](O2)C4C[C@@H](C[C@@](O3)(O4)CC(=C)[C@@H]5[C@H](C[C@H]([C@@](O5)([C@@H]([C@@H]6C[C@@H]7[C@H](O6)C[C@H]([C@@]8(O7)CC[C@@]9(O8)C=CC[C@H](O9)/C=C/CCC(=O)O)C)O)O)C)C)C)NC1)C