HMDB0005045 RDKit 3D 15(S)-Hydroxyeicosatrienoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 8.4163 0.0569 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.2722 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 0.9614 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7692 0.5621 -2.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 -0.2653 -1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 0.3518 -0.7934 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5502 0.6458 0.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 -0.6759 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -0.3803 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -1.4222 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -1.2527 1.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 0.0221 2.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 0.6676 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 0.3624 1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9455 -0.7997 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 -0.4322 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 0.3657 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 -0.0349 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1174 -0.1454 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5558 -0.5504 0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4687 0.4868 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7085 0.1847 0.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1253 1.7535 0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2367 -0.6257 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 -0.1100 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2636 1.1023 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 -0.7953 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 -0.9897 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5924 1.4978 -1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 1.6957 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 1.4399 -2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 -0.0543 -3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9522 -1.2814 -1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9794 -0.4603 -2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 1.2715 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6491 -0.1702 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 -1.6797 -0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7219 0.6325 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 -2.4608 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -2.1757 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 0.7779 2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2539 -0.0538 3.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 1.6615 2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6387 1.0803 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 -1.2574 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -1.5995 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 0.1490 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3145 -1.3457 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2763 1.4435 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 0.5604 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1821 -0.9646 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5805 0.7363 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4159 -0.7033 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0226 0.9268 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6160 -0.6505 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6959 -1.5456 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5787 2.1058 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 6 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 23 57 1 0 M END