HMDB0241895 RDKit 3D (4Z,7S,8E)-7-Hydroxy-9-[(1S,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-3... 82 82 0 0 0 0 0 0 0 0999 V2000 10.4649 1.5319 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2141 0.6871 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1814 -0.2868 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -0.4028 1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 0.4388 1.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -0.3990 1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 -0.2884 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8121 0.6730 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 0.1304 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7183 1.3112 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6613 1.7495 -3.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 1.7917 -2.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 0.5781 -2.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 0.9138 -0.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 -0.5375 -2.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 -1.8460 -1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 -2.5116 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -2.2024 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 -1.2862 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 -1.8892 -1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -1.5658 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7923 -0.3818 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 -0.0412 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -1.1873 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 -0.7949 1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 -1.6420 2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 0.4624 1.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5688 0.8647 1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2819 2.0315 2.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4887 2.4628 3.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6098 1.9018 3.5296 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4295 3.6135 4.3623 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.5321 1.3235 0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8404 0.2949 -0.1035 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7705 0.1751 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1183 -0.9872 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0486 0.7533 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8493 1.5524 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2147 2.5765 -0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2554 1.0971 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2931 1.2841 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2495 0.1633 -1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0311 -0.9994 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 -1.1774 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0936 0.8382 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0085 1.3069 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -1.1898 2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 -1.0100 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9759 1.3844 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 1.3511 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -0.5056 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 2.6501 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9692 2.1009 -3.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 0.4223 -2.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 1.8630 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6757 -0.7140 -3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 -2.5553 -1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -3.6260 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 -3.1578 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -1.3547 1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 -2.8301 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -1.1340 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -2.2792 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 0.3648 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 0.1141 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9411 0.8968 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8395 -1.4755 1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 -2.0880 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9192 0.0245 2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5098 1.7802 3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 2.8967 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0207 2.1594 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4495 1.6802 1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1789 0.2444 -2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0402 1.0048 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2796 -0.8098 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2841 -1.7013 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9889 -1.4273 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4154 -0.9461 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9084 0.2635 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1121 1.8644 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9745 0.4445 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 28 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 15 9 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 22 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 33 72 1 0 33 73 1 0 35 74 1 0 35 75 1 0 35 76 1 0 36 77 1 0 36 78 1 0 36 79 1 0 37 80 1 0 37 81 1 0 37 82 1 0 M CHG 2 32 -1 34 1 M END