HMDB0033658 RDKit 3D De-O-methyldihydrosterigmatocystin 35 39 0 0 0 0 0 0 0 0999 V2000 2.7389 -2.3413 0.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -1.3615 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6828 -0.1451 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 0.0322 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8578 -0.9887 0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5633 1.3247 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 2.3903 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 2.2194 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9016 0.9401 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 0.8299 -0.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.2716 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4123 -0.3197 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 -1.5353 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -2.6649 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -2.6391 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 -3.8153 0.6516 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 -1.4212 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 -1.3737 -0.3958 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 -0.1381 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7533 0.4867 -0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 1.7254 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 1.4314 0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4302 0.6586 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 -1.9270 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 1.4585 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 3.4052 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7609 3.0616 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -3.5919 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -4.1074 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 -0.2387 -2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0336 2.0797 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 2.4544 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0096 0.7102 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 2.3396 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 1.3328 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 17 2 1 0 23 19 1 0 9 3 1 0 17 11 1 0 23 12 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 14 28 1 0 16 29 1 0 19 30 1 0 21 31 1 0 21 32 1 0 22 33 1 0 22 34 1 0 23 35 1 0 M END