CDK 0502191930 23 22 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 0.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7267 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 2.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 3.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 3.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 4.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 5.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 5.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 4.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6099 3.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 3.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 3.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 5.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 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 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > CHEBI:143585 > cis-5,8,11,14,17-eicosapentaenoic acid methyl ester > 2 > methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate > C21H32O2 > 316.478 > 316.240 > 0 > O=C(OC)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC > InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16- > QWDCYFDDFPWISL-JEBPEJKESA-N $$$$