HMDB0040407 RDKit 3D (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid 29 30 0 0 0 0 0 0 0 0999 V2000 4.0422 -0.0517 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -0.0195 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -1.1897 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 -1.1942 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.2679 0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 0.0804 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 0.0875 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 -1.1477 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 -1.8634 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 -1.4794 -1.8354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 -3.0261 -0.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 1.3527 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 2.5137 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0317 3.7510 0.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 2.4406 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5511 1.2244 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 1.1464 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 0.7516 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 0.0459 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 -1.0132 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -0.1439 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -2.1189 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.0192 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 -0.7991 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 -1.7763 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 -3.6190 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 1.3775 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 4.5966 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 3.3607 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 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 2 21 1 0 3 22 1 0 3 23 1 0 8 24 1 0 8 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 15 29 1 0 M END