HMDB0035407 RDKit 3D Dehydrocurdione 39 39 0 0 0 0 0 0 0 0999 V2000 3.4964 -0.8161 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5117 0.1994 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7569 0.8786 1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.4528 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 -0.2883 -1.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 -1.2334 -1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 -1.5784 -2.6558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -1.8255 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -3.3561 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -1.2771 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -0.3389 1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 0.9440 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 1.8939 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 3.2048 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 1.6721 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4296 1.4263 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 2.0956 1.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 -1.0299 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -1.7898 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0296 -0.4864 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 0.7756 2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7421 0.5566 2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 1.9824 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 0.4111 -2.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -0.8661 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1945 -1.6053 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -3.7773 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -3.7894 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 -3.6532 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 -0.8618 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 -2.1911 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7434 -0.2639 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -0.8840 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 1.1781 1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 3.9132 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 3.0586 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8312 3.6620 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 2.6503 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 0.9565 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 4 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 5 24 1 0 5 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END