HMDB0041060 RDKit 3D Dehydro-4-methoxycyclobrassinin 27 29 0 0 0 0 0 0 0 0999 V2000 -3.4424 -2.1165 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 -1.3456 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 0.0165 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4028 0.7767 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 2.1374 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 2.7163 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8877 1.9703 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 2.2849 -0.2724 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 1.2096 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 0.7844 0.0377 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 -0.8819 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -1.6922 0.4736 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 -0.5167 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -1.6166 0.3685 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 -1.2164 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 0.0597 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 0.6086 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -3.0288 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 -1.6101 0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.4340 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3496 0.2591 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 2.7208 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 3.7851 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7024 0.4758 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 -0.9836 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 -0.3805 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -1.9822 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 3 1 0 17 7 2 0 16 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 13 24 1 0 13 25 1 0 13 26 1 0 15 27 1 0 M END