HMDB0304395 RDKit 3D isochorismate 26 26 0 0 0 0 0 0 0 0999 V2000 2.1414 1.2014 2.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 1.4251 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 1.2537 0.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 0.0723 -0.2393 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5175 -1.1212 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -1.9504 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7716 -1.7192 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 -0.6792 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 -0.4428 -1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 0.5437 -1.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -1.3227 -0.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9321 0.2894 -0.8535 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7941 0.2771 -2.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 1.8364 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 1.9778 0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 2.0815 -1.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 1.3185 2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 0.8957 2.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 0.0498 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -1.3084 1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 -2.8225 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 -2.4123 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6923 -1.5816 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 1.3324 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 -0.6692 -2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 1.4747 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 12 13 1 0 2 14 1 0 14 15 2 0 14 16 1 0 12 4 1 0 1 17 1 0 1 18 1 0 4 19 1 6 5 20 1 0 6 21 1 0 7 22 1 0 11 23 1 0 12 24 1 1 13 25 1 0 16 26 1 0 M END