home / zeropm-v0-0-4 / substances

substances: 243238

This data as json

inchi_id inchi inchikey
243238 InChI=1S/C88H130N18O16/c1-45(2)33-64(78(112)89-31-32-107)98-82(116)68(37-55-40-90-61-28-22-19-25-58(55)61)101-80(114)66(35-47(5)6)99-83(117)69(38-56-41-91-62-29-23-20-26-59(56)62)102-81(115)67(36-48(7)8)100-84(118)70(39-57-42-92-63-30-24-21-27-60(57)63)103-86(120)73(50(11)12)105-88(122)75(52(15)16)106-87(121)74(51(13)14)104-77(111)54(18)96-79(113)65(34-46(3)4)97-76(110)53(17)95-71(109)43-93-85(119)72(49(9)10)94-44-108/h19-30,40-42,44-54,64-70,72-75,90-92,107H,31-39,43H2,1-18H3,(H,89,112)(H,93,119)(H,94,108)(H,95,109)(H,96,113)(H,97,110)(H,98,116)(H,99,117)(H,100,118)(H,101,114)(H,102,115)(H,103,120)(H,104,111)(H,105,122)(H,106,121)/t53-,54-,64+,65+,66+,67+,68-,69-,70+,72-,73-,74+,75-/m0/s1 WCZQKPZMVDTBSI-BENRPQBGSA-N

Links from other tables

  • 1 row from inchi_id in api_results
  • 0 rows from inchi_id in cleanventory_chemicals
  • 1 row from inchi_id in consensus_index
  • 0 rows from inchi_id in zeropm_chemicals
  • 0 rows from inchi_id in components
  • 0 rows from inchi_id in multi_components
  • 0 rows from inchi_id in pm_probabilities
Powered by Datasette · Queries took 1.291ms