HMDB0039635 RDKit 3D Abscisic alcohol 40 40 0 0 0 0 0 0 0 0999 V2000 -0.5662 1.8297 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 1.3603 0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 1.9090 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 1.4063 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 2.1428 -1.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.0048 -1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 -0.6960 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7189 -1.1450 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 -1.9220 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 0.2740 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.8638 -1.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 -0.3035 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 0.3283 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 -0.1302 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -1.3295 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 0.5772 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 0.2299 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 0.0455 -1.5796 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 2.8394 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 1.9173 2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 1.0606 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 2.7076 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 0.0309 -2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3512 -0.5938 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 -2.1243 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8576 -1.2506 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -0.4001 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 -2.6823 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0591 -1.6648 -2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -2.3629 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 0.1904 -2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 -1.1949 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 1.2433 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 -1.1017 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 -2.0406 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 -1.8516 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4222 1.4798 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 -0.6906 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 1.0773 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5864 -0.0335 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 10 2 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 M END