HMDB0033940 RDKit 3D Vignafuran 34 36 0 0 0 0 0 0 0 0999 V2000 5.9129 1.2915 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5506 -0.0187 0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2133 -0.3412 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 -1.6078 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -1.9683 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -1.0404 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -1.0582 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 0.1700 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 0.6018 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 1.9139 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 2.4029 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2836 1.5469 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5798 2.0045 -0.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 0.2568 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 -0.2421 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -1.5580 0.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 -2.4232 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 0.9133 -0.2615 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 0.2374 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 0.5654 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 1.4452 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 1.9942 0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6319 1.5052 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -2.3608 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 -2.9774 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 -1.9449 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 2.6056 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4141 3.4395 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3669 1.3905 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 -0.4382 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 -2.5978 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 -3.4055 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 -1.8885 1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 1.5865 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 8 18 1 0 18 19 1 0 19 20 2 0 20 3 1 0 19 6 1 0 15 9 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 5 25 1 0 7 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 20 34 1 0 M END