Ketcher 05031512162D 1 1.00000 0.00000 0 22 21 0 1 0 999 V2000 16.6375 -3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7715 -4.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6375 -2.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9055 -3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0394 -4.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1734 -3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 -4.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4413 -3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 -4.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7092 -3.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 -4.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5036 -4.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8429 -5.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7088 -5.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5748 -5.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4409 -5.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7092 -2.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9770 -3.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3070 -5.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1729 -5.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0389 -5.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9050 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 1 12 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 10 17 1 1 0 0 13 11 1 0 0 0 11 18 1 1 0 0 16 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 M CHG 1 12 -1 M END > CHEBI:85147 > (9S,10R)-dihydroxyoctadecanoate > A hydroxy fatty acid anion that is the conjugate base of (9S,10R)-dihydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 3 > (9S,10R)-dihydroxyoctadecanoate > (9S,10R)-dihydroxystearate; (9S,10R)-dihydroxyoctadecanoate > C18H35O4 > 315.46860 > 315.25408 > -1 > CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC([O-])=O > InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/p-1/t16-,17+/m1/s1 > VACHUYIREGFMSP-SJORKVTESA-M > 12574510 $$$$