HMDB0033735 RDKit 3D Graveolone 30 32 0 0 0 0 0 0 0 0999 V2000 -3.5933 0.5503 1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 0.0706 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -1.1206 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 1.1763 -0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0025 0.9974 -1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 1.2833 -2.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 0.4698 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 0.5613 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 0.0596 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8022 0.1453 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8467 -0.3668 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5257 -0.9824 1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -1.4727 1.9089 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 -1.0572 1.5494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -0.5685 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 -0.6670 1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 -0.1595 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3928 -0.2625 0.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 1.1570 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 1.1953 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 -0.3146 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 -0.9375 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -1.2261 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 -2.0534 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2762 2.1329 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 1.1617 -1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 1.0555 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 0.6285 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 -0.2933 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -1.1628 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 2 1 0 17 7 1 0 15 9 2 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 16 30 1 0 M END