Ketcher 05051512002D 1 1.00000 0.00000 0 21 20 0 0 0 999 V2000 29.8611 -24.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9950 -25.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8611 -23.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1290 -24.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2629 -25.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3969 -24.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5308 -25.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6648 -24.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7986 -25.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9326 -24.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0664 -25.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7271 -25.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2003 -24.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3343 -25.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4684 -24.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3343 -26.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2002 -26.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0663 -26.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9322 -26.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7984 -26.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6644 -26.9797 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 2 0 0 0 1 12 1 0 0 0 13 11 1 0 0 0 14 13 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 M CHG 1 12 -1 M END > CHEBI:85152 > (9E)-12-hydroxyoctadec-9-enoate > A hydroxy fatty acid anion that is the conjugate base of (9E)-12-hydroxyoctadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 3 > 12-hydroxyelaidate; 12-hydroxy-(9E)-octadecenoate > (9E)-12-hydroxyoctadec-9-enoate > C18H33O3 > 297.45340 > 297.24352 > -1 > CCCCCCC(O)C\C=C\CCCCCCCC([O-])=O > InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b12-9+ > WBHHMMIMDMUBKC-FMIVXFBMSA-M > 12574510 $$$$