HMDB0113211 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -2.7145 0.8486 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 1.4465 2.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4411 2.9012 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 3.6535 2.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0239 3.1962 2.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 3.7053 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 4.5592 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 5.2390 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 5.0649 3.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2413 4.6283 3.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 4.2641 3.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 2.8949 3.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3671 2.0365 2.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 2.2484 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 1.4685 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 0.4192 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5822 -0.2317 1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -0.3091 1.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 -0.9250 2.7917 C 0 0 0 0 0 0 0 0 0 0 0 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24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 49118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END