Mrv1533005141521382D 25 24 0 0 0 0 999 V2000 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3789 7.5572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 26.6644 6.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 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 22 23 1 0 0 0 0 22 24 2 0 0 0 0 1 25 1 0 0 0 0 M CHG 1 23 -1 M END > NP0339808 > NP-MRD > OCCCCCCCCCCCCCCCCCCCCCC([O-])=O > InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)/p-1 > IBPVZXPSTLXWCG-UHFFFAOYSA-M > C22H43O3 > 355.584 > 355.321768825 > 3 > 68 > 47.84540408531842 > 0 > 1 > -1 > 0 > 22-hydroxydocosanoate > 8.51 > 7.487316151000002 > -6.69 > 0 > 0 > -1 > 16.84394282199214 > 4.952019704603348 > -1.9922594590354228 > 60.36 > 117.45539999999998 > 21 > 0 > 7.69e-05 g/l > 22-hydroxydocosanoate > 0 > NP0339808 > 22-hydroxydocosanoate $$$$