HMDB0039607 RDKit 3D Sorgolactone 43 46 0 0 0 0 0 0 0 0999 V2000 7.5316 0.8534 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 0.1635 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2896 -0.2169 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 -0.8450 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 0.0105 0.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -0.4345 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 0.0804 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 1.1000 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 1.5617 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8656 1.4614 0.7772 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.9520 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 0.3889 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -0.7568 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -1.3127 0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8507 -1.4212 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0517 -0.2088 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 0.8846 -0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5573 2.0071 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 -1.2831 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -0.2815 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6174 -0.8078 -1.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -0.1959 -1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5598 0.0361 -2.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3446 1.9527 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2398 0.7773 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9384 0.4391 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2818 -0.0915 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 -1.8694 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9754 -1.1875 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 1.6768 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1374 -0.6308 1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6372 -2.3389 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 -1.7618 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5429 -2.3004 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0657 0.2173 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1505 -0.5323 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 1.3285 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6116 1.7688 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0016 2.0683 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5617 2.9875 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 -1.3631 1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -2.2531 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 -0.6227 -1.6757 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 13 19 1 0 19 20 1 0 4 21 1 0 21 22 1 0 22 23 2 0 22 2 1 0 20 7 1 0 20 11 1 0 17 12 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 6 29 1 0 11 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 M END