HMDB0042024 RDKit 3D Tectorigenin 34 36 0 0 0 0 0 0 0 0999 V2000 5.1670 1.8531 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 0.8075 0.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 0.0922 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 -1.0434 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 -1.4492 -0.5388 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 -1.7553 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 -1.3910 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.0966 -1.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 -1.7391 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -0.6170 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 -0.2794 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5081 -0.3291 -1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8406 -0.0166 -1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 0.3664 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7083 0.6855 0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 0.4206 1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 0.1095 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 0.1559 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5052 1.1710 0.9517 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -0.2487 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 0.4842 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8697 1.6365 1.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8138 1.8208 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 2.8268 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 1.7578 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -2.2917 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -2.6512 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -2.3253 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1169 -0.6325 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4718 -0.0772 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9565 1.6523 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9173 0.7271 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 0.1655 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 2.2108 1.7488 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 21 3 1 0 20 7 1 0 17 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 9 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 22 34 1 0 M END