5282761 -OEChem-09261811093D 54 53 0 0 0 0 0 0 0999 V2000 6.6470 -0.7858 -0.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 -0.2443 1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -1.9688 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0187 -1.8734 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 -1.5210 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -2.3569 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 -1.6182 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5494 -2.3149 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -1.1447 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9069 -0.9453 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 1.9821 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 2.4964 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 1.8141 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 2.6336 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 0.1103 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -1.2371 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5619 1.2806 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 3.1155 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 3.2854 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 -0.7076 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -1.3458 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5888 -3.0023 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1504 -0.8400 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9164 -2.4845 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -0.4859 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -2.1334 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 -3.3885 -0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 -1.7517 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 -2.6576 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7218 -1.0187 -1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3593 -2.6569 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4916 -3.0391 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -0.1074 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 -1.7426 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8241 -1.0709 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -0.6387 1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 2.6856 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8977 1.0265 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.8062 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2308 3.4680 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 1.1870 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 2.7903 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 3.3407 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 1.6677 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0232 -0.1069 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -2.2832 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2174 -0.6555 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9183 1.9286 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 2.3975 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 4.0729 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 4.0222 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5523 3.6290 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 2.3373 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4294 -0.4349 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 2 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M END > DB04801 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UWHZIFQPPBDJPM-FPLPWBNLSA-N/SDF?record_type=3d > CCCCCC\C=C/CCCCCCCCCC(O)=O > InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7- > UWHZIFQPPBDJPM-FPLPWBNLSA-N > C18H34O2 > 282.4614 > 282.255880332 > 2 > 54 > 37.09733266607341 > 0 > 1 > 0 > 0 > (11Z)-octadec-11-enoic acid > 7.67 > 6.783798451000001 > -6.36 > 0 > 0 > -1 > 4.952019655228562 > 37.3 > 87.40219999999998 > 15 > 0 > 1.23e-04 g/l > cis-vaccenic acid > 0 $$$$