HMDB0030772 RDKit 3D Demethoxyegonol 38 41 0 0 0 0 0 0 0 0999 V2000 -6.1644 -0.8742 0.7826 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.1622 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1253 1.1915 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4429 0.6597 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 0.0856 -0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 -1.2446 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 -1.7590 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 -0.9599 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -1.1879 0.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -0.0917 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 0.0603 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4571 1.2739 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8166 1.4574 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 0.3845 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0112 -0.8475 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 -1.0028 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0645 -1.7202 0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2767 -1.0817 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 0.3046 0.4499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 0.9526 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 0.3862 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 0.8745 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8498 -1.7593 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9667 0.6491 2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 -0.2065 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 1.5917 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5289 2.0212 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 1.5257 -1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0821 -0.0703 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8745 -1.8932 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -2.7972 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 2.1431 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 2.4428 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -1.9565 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0987 -1.2586 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 -1.3783 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 1.9862 -0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 1.9366 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 10 20 2 0 20 21 1 0 21 22 2 0 22 5 1 0 21 8 1 0 16 11 1 0 19 14 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 12 32 1 0 13 33 1 0 16 34 1 0 18 35 1 0 18 36 1 0 20 37 1 0 22 38 1 0 M END