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Substance Name: Microcystin LF
RN: 157622-02-1
InChIKey: CJIASZBWXIFQMU-ZVXOBQGSSA-N

Molecular Formula

  • C54-H72-N8-O12

Molecular Weight

  • 1025.21
 
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Names and Synonyms

  • Microcystin LF

Registry Numbers

CAS Registry Number

  • 157622-02-1

System Generated Number

  • 0157622021

Structure Descriptors

InChI

1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+

InChIKey

CJIASZBWXIFQMU-ZVXOBQGSSA-N

Smiles

c1c2[nH]cc(c2ccc1)C[C@@H]1C(N[C@@H](\C=C/C(=C/[C@@H]([C@@H](Cc2ccccc2)OC)C)C)[C@@H](C(N[C@@H](C(=O)O)CCC(N(C(C(=O)N[C@@H](C(N[C@@H](C(N[C@@H](C(=O)O)[C@@H](C(N1)=O)C)=O)CC(C)C)=O)C)=C)C)=O)=O)C)=O