HMDB0040572 RDKit 3D 2-O-Caffeoylhydroxycitric acid 40 40 0 0 0 0 0 0 0 0999 V2000 -5.1174 0.2887 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 1.1084 -1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2343 2.3346 -2.5801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1952 0.7893 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 -0.6019 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3856 -1.4834 -1.4243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 -0.5801 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 0.1961 1.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8669 -1.3444 -0.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.9937 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -0.9702 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1127 -0.2225 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3276 0.5059 1.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -0.2502 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 0.4813 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 0.5224 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -0.2169 -0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -0.1465 -1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2263 0.6769 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5584 0.7949 -1.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8223 1.4276 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6702 2.2653 1.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 1.3329 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 -2.3604 1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 -3.2761 1.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0276 -2.6189 1.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1428 3.1654 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2064 0.8833 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 1.5434 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -1.1344 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4162 -1.8707 0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 -0.3301 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 -0.8721 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 1.0905 1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 -0.8631 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7122 -0.7124 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8738 0.2493 -1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 2.8034 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1703 1.9294 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -3.5409 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 5 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 10 24 1 0 24 25 2 0 24 26 1 0 23 16 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 9 31 1 0 10 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 18 36 1 0 20 37 1 0 22 38 1 0 23 39 1 0 26 40 1 0 M END