HMDB0040329 RDKit 3D xi-5-Hydroxydecanoic acid 33 32 0 0 0 0 0 0 0 0999 V2000 4.5613 -0.0911 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9702 0.9808 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 0.5076 -1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 0.2660 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -0.2145 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 -0.4011 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 -1.3354 1.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.8117 0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 0.2272 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9793 -0.2713 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 0.7531 -0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0813 1.8110 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0544 0.5311 -2.0259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 -1.1078 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 -0.0729 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 0.1237 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 1.8542 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 1.2170 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 1.2048 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -0.4883 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 -0.5347 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 1.1894 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 -1.1824 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 0.5394 -0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 0.5467 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 -2.2538 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -0.9040 1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 -1.7766 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1532 0.3345 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 1.2102 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 -0.3721 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9766 -1.2474 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -0.2318 -2.5856 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 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 13 33 1 0 M END