HMDB0033924 RDKit 3D Cajanol 39 41 0 0 0 0 0 0 0 0999 V2000 6.6097 0.7311 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 -0.2722 -0.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 -0.1245 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 1.0775 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 1.2515 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 2.4898 -0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 0.2000 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -1.0234 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -1.1832 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -2.0880 0.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -2.0789 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -0.7605 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0898 -0.8074 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -1.8761 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0051 -1.8948 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8382 -0.8455 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1993 -0.8671 -0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2767 0.2261 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9252 0.2495 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 1.3234 1.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 2.4103 1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.3051 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 1.2608 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 1.4033 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 0.2205 -0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 1.3583 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 1.9589 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 2.7932 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -2.1414 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 -2.1858 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -2.9225 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.6992 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0216 -2.7177 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4345 -2.7393 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8931 -1.2593 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9114 1.0805 0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0493 2.0787 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 2.8721 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6528 3.1964 2.0940 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 1 0 5 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 12 22 1 0 22 23 2 0 9 3 1 0 19 13 1 0 22 7 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 9 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 18 36 1 0 21 37 1 0 21 38 1 0 21 39 1 0 M END