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Add test for not standard inchi's in Wikidata #24

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DeniseSl22 opened this issue Jan 22, 2020 · 1 comment
Open

Add test for not standard inchi's in Wikidata #24

DeniseSl22 opened this issue Jan 22, 2020 · 1 comment
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@DeniseSl22
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As suggested by Emma, check for not standard Inchi's:

#Find not standard inchi's + corresponding inchikey
SELECT DISTINCT ?item ?inchi ?inchikey
WHERE 
{
  ?item wdt:P234 ?inchi.
  FILTER(STRSTARTS(?inchi, '1/')) . #Not standard inchis start with '1/' (standard with '1s/').
  OPTIONAL {?item wdt:P235 ?inchikey}. #Not standard inchikeys end with NA-X (standard with SA-X).
}
@DeniseSl22 DeniseSl22 changed the title Add test for not standard inchi's Add test for not standard inchi's in Wikidata Jan 22, 2020
@DeniseSl22
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24 items as of today:

  • wd:Q11122451 | 1/C6H8O7.3Rb/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3 |  
  • wd:Q4745975 | 1/C11H12Cl3N/c1-9(15-8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b15-8+ | VBZDETYCYXPOAK-OVCLIPMQNA-N
  • wd:Q20816880 | 1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/s2 | KDXKERNSBIXSRK-MLHKIVSYNA-N
  • wd:Q2570844 | 1/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/s2 | ZPDFIIGFYAHNSK-ZCTZICQLNA-K
  • wd:Q2964147 | 1/3ClH.Ac/h3*1H;/q;;;+3/p-3 | VMNJYAVXIAOMBM-UHFFFAOYSA-K
  • wd:Q3028844 | 1/F2O2Xe/c1-5(2,3)4 | OJNSIFWVGHJJMW-UHFFFAOYSA-N
  • wd:Q10880252 | 1/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1 | FHLDWQLHDYCXKI-UHFFFAOYSA-M
  • wd:Q28091398 | 1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15) | NYPYHUZRZVSYKL-UHFFFAOYSA-N
  • wd:Q52159094 | 1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9-,14-13-/f/h19H | DFJAXEWDHVOILU-KWUOUXIESA-N
  • wd:Q58209983 | 1/C20H36O2/c1-8-10-14(3)11-15(4)12-16(5)13-17(6)20(22)18(7)19(21)9-2/h13-16,18H,8-12H2,1-7H3/b17-13+/t14-,15-,16-,18+/m0/s1 | IABHSIINLYLXJN-NOSCTQNOSA-N
  • wd:Q5462886 | 1/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/s2 | YVHXHNGGPURVOS-NQWCDGEMNA-N
  • wd:Q5578972 | 1/Au.3HI/h;3*1H/q+3;;;/p-3 | GCZKMPJFYKFENV-UHFFFAOYSA-K
  • wd:Q222424 | 1/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/s2 | MIZMDSVSLSIMSC-OGLSAIDSSA-N
  • wd:Q44297259 | 1/C17H22O6/c1-10-4-3-5-13(22-2)9-15(20)17-11(7-16(21)23-10)6-12(18)8-14(17)19/h6,8,10,13,18-19H,3-5,7,9H2,1-2H3/t10-,13+/m0/s1 |  
  • wd:Q3655600 | 1/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/s2 | JTZQCHFUGHIPDF-IJYBFQDMNA-M
  • wd:Q5404861 | 1/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/b10-9+ | ZCKKHYXUQFTBIK-MDZDMXLPNA-N
  • wd:Q25099411 | 1/C24H31N3O2/c28-24(25-22-18-10-16-9-17(12-18)13-19(22)11-16)23-20-3-1-2-4-21(20)27(26-23)14-15-5-7-29-8-6-15/h1-4,15-19,22H,5-14H2,(H,25,28)/f/h25H | XFZLBNDGZVRJNJ-UHFFFAOYSA-N
  • wd:Q2864430 | 1/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15) | MRUDSZSRLQAPOG-UHFFFAOYNA-N
  • wd:Q59220488 | 1/C19H32O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,10-11,13-17,19-20H,7,9,12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1 |  
  • wd:Q11129367 | 1/F6OSe/c1-7-8(2,3,4,5)6 | DOWDYMDJZSUENF-UHFFFAOYSA-N
  • wd:Q15628348 | 1/2Gd.3H2O4S/c;;31-5(2,3)4/h;;3(H2,1,2,3,4)/q2*+3;;;/p-6 | WWMJZMNJLHYPIG-UHFFFAOYSA-N
  • wd:Q18212782 | 1/2As2H.Zn/c21-2;/h21H;/q2*-1;+2 | NCBTWJFRESGFFG-UHFFFAOYSA-N
  • wd:Q44099768 | 1/C25H38O6/c1-13-9-8-10-14(2)22(13)29-24(28)18(6)21(27)16(4)20(26)17(5)23-15(3)19-11-12-25(7,30-19)31-23/h8-10,15-21,23,26-27H,11-12H2,1-7H3/t15-,16+,17-,18-,19+,20-,21-,23-,25+/m1/s1/1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-12,11-12,12-12,13-12,14-12,15-12,16-12,17-12,18-12,19-12,20-12,21-12,22-12,23-12,24-12,25-12,26-16,27-16,28-16,29-16,30-16,31-16 |  
  • wd:Q59263591 | 1/C52H81ClO17/c1-30-18-21-50-23-20-40(62-4)48(69-50)47(59)46(58)31(2)16-17-39-45(53)43(63-5)28-51(66-39)22-19-32(3)52(70-51)29-42(38(68-52)15-10-8-6-7-9-14-37(56)49(60)61)65-44(57)27-36-13-11-12-35(64-36)25-33(54)24-34(55)26-41(30)67-50/h7-10,18,21,30-43,45-48,54-56,58-59H,6,11-17,19-20,22-29H2,1-5H3,(H,60,61)/b9-7-,10-8+/t30-,31-,32-,33-,34-,35-,36+,37-,38-,39+,40-,41+,42-,43+,45+,46-,47-,48-,50-,51+,52+/m0/s1

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