Mrv1652309082222412D 33 33 0 0 0 0 999 V2000 4.8525 -2.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4235 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -2.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -3.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 -4.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 -4.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -5.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -4.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -5.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -6.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -6.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -6.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4235 -6.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8525 -6.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -7.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -6.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 -5.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1746 -5.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 -5.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4076 -6.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8925 -5.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0351 -6.5535 0.0000 N 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 27 33 1 0 0 0 0 M END > NP0273593 > NP-MRD > CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)C1=CC=C(CO)N1 > InChI=1S/C30H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)29-26-25-28(27-32)31-29/h3-4,6-7,9-10,12-13,15-16,25-26,31-32H,2,5,8,11,14,17-24,27H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15- > AGJPNPDYGCAODE-JLNKQSITSA-N > C30H45NO2 > 451.695 > 451.345029693 > 2 > 78 > 56.63818621195804 > 0 > 2 > 0 > 0 > (10Z,13Z,16Z,19Z,22Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]pentacosa-10,13,16,19,22-pentaen-1-one > 8.354868121 > 0 > 1 > 0 > 15.571851149416215 > 12.961027961674475 > -2.9529336865936795 > 53.089999999999996 > 149.2224 > 20 > 0 > (10Z,13Z,16Z,19Z,22Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]pentacosa-10,13,16,19,22-pentaen-1-one > 0 > NP0273593 > (10z,13z,16z,19z,22z)-1-[5-(hydroxymethyl)-1h-pyrrol-2-yl]pentacosa-10,13,16,19,22-pentaen-1-one $$$$