HMDB0127769 RDKit 3D {2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid 34 35 0 0 0 0 0 0 0 0999 V2000 -2.8885 -0.2209 -2.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 -0.4975 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -0.1696 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 0.4289 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 0.7668 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 1.4113 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 0.4161 -1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1118 -0.4819 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -0.6417 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 0.7305 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 1.3796 -0.6869 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.1100 -1.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2636 0.4689 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 -0.1262 1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 -0.4572 1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -1.0534 1.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 -0.2251 2.2158 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.6769 0.9308 1.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2381 0.3692 3.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7998 -1.1893 2.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -0.8747 -2.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 0.8211 -2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 -0.3223 -2.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 0.6566 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 2.0624 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 2.0826 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -0.2378 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 0.0294 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -1.4725 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2113 -0.9051 0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 -1.3670 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 0.7147 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -0.3555 2.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7061 -1.7858 1.3832 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 5 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 2 0 17 20 1 0 15 3 1 0 12 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 13 32 1 0 14 33 1 0 20 34 1 0 M END