HMDB0034444 RDKit 3D Citreorosein 31 33 0 0 0 0 0 0 0 0999 V2000 -0.2337 2.6681 0.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 1.4092 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.7965 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 1.5758 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0589 1.0451 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2015 1.8290 -0.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2027 -0.3066 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 -1.1396 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 -2.4758 -0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -0.5919 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -1.4142 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -2.6342 -0.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 -0.8297 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -1.6553 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -3.0143 -0.4377 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -1.0066 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 0.3500 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 1.0037 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 1.0288 1.5472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0534 1.1434 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 0.5350 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 2.6451 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7091 2.0524 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 -0.7955 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 -3.2317 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 -3.7090 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -1.5863 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 2.0242 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3111 0.3675 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 1.6934 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 2.2238 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 2 0 21 2 1 0 10 3 1 0 21 13 1 0 4 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 15 26 1 0 16 27 1 0 18 28 1 0 18 29 1 0 19 30 1 0 20 31 1 0 M END