HMDB0040408 RDKit 3D 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid 27 28 0 0 0 0 0 0 0 0999 V2000 4.1622 -0.7526 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -0.4642 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 -1.4542 0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 -1.2134 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 -2.0828 1.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 0.0267 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 0.3050 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -0.6740 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6657 -1.7077 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -1.7589 -1.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 -2.6692 -0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 1.5929 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 2.5368 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 3.7919 -0.9537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 2.2300 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9508 0.9746 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 0.6950 -0.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.6370 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -0.0238 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 -1.7831 -0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 -2.4406 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 -0.0964 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -1.0673 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -2.7062 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 1.8390 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 4.5747 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 2.9649 -0.8335 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 7 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 2 1 0 16 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 8 22 1 0 8 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 15 27 1 0 M END