HMDB0033298 RDKit 3D 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone 39 41 0 0 0 0 0 0 0 0999 V2000 -5.0369 -1.8132 -1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 -1.5590 -0.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -0.2478 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1506 0.8328 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 2.1184 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5271 3.2257 -0.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3996 2.3011 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 1.2266 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.0270 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -1.1562 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 -2.3080 0.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 -0.8812 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -0.6617 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 -0.3885 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.9015 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 1.2233 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 0.1900 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 0.4589 0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7093 -1.1237 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 -2.1310 -0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 -1.3993 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3677 0.3236 1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1.4073 0.8832 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3007 -2.8721 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7462 -1.2693 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 -1.4088 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1673 0.6697 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5288 3.6818 -1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 3.3224 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -1.7786 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 0.2155 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -1.5510 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1443 1.7061 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 2.2568 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 1.4310 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -3.0884 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 -2.4248 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 0.0410 2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.5562 1.8127 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 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 2 0 12 22 1 0 22 23 1 0 9 3 1 0 21 14 1 0 23 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 15 33 1 0 16 34 1 0 18 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 22 39 1 0 M END