Mrv1652306271817342D 22 21 0 0 1 0 999 V2000 7.4267 -8.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1412 -7.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1412 -8.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 -8.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5703 -8.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2848 -8.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9994 -8.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5703 -7.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7139 -8.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4284 -8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1428 -8.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8574 -8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5719 -8.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5719 -9.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5378 -8.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8246 -8.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9954 -8.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 -8.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2534 -8.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9667 -8.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6825 -8.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3957 -8.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 1 3 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > HMDB0062359 > hmdb > CCCCC\C=C/C[C@H](O)\C=C\C=C\CCC(=O)CC(O)=O > InChI=1S/C18H28O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-10,13,16,19H,2-5,11-12,14-15H2,1H3,(H,21,22)/b8-7+,9-6-,13-10+/t16-/m0/s1 > DASVGFACDRAZQR-CKBRMXFCSA-N > C18H28O4 > 308.418 > 308.198759382 > 4 > 50 > 35.796446402293505 > 1 > 2 > 0 > 1 > (6E,8E,10S,12Z)-10-hydroxy-3-oxooctadeca-6,8,12-trienoic acid > 4.18 > 4.161860709333333 > -4.26 > 0 > 0 > -1 > 15.009059962373087 > 4.318036542302382 > -1.608710523589123 > 74.6 > 91.8441 > 13 > 1 > 1.70e-02 g/l > (6E,8E,10S,12Z)-10-hydroxy-3-oxooctadeca-6,8,12-trienoic acid > 0 > HMDB0062359 > (6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid > 3-oxo-10(S)-Hydroxy-octadeca-6E,8E,12Z-trienoic acid $$$$