HMDB0040570 RDKit 3D 2-O-p-Coumaroylhydroxycitric acid 39 39 0 0 0 0 0 0 0 0999 V2000 2.6751 -0.8299 2.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 -0.1887 2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -0.3534 2.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1725 0.7252 1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 -0.0207 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 -0.4948 -0.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 0.9592 -1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 1.4922 -1.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 1.2591 -2.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 -1.1979 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 -0.8758 -0.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -1.3651 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -2.2107 1.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -0.9346 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -0.0540 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2199 0.4242 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 1.3581 -1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8423 1.8424 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8697 1.4124 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1625 1.8961 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5398 0.4883 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 0.0004 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 -1.9506 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 -2.3429 -1.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -2.2113 -2.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4416 0.4811 2.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 1.5723 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 1.1399 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 -1.2645 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 0.6180 -2.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -1.8904 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.3491 1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 0.3377 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 1.6981 -1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 2.5665 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7922 1.3938 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3259 0.1301 1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0225 -0.7248 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 -1.5360 -2.9730 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 2 0 10 23 1 0 23 24 2 0 23 25 1 0 22 16 1 0 3 26 1 0 4 27 1 0 4 28 1 0 6 29 1 0 9 30 1 0 10 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 18 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 25 39 1 0 M END