HMDB0037342 RDKit 3D Apigenin 7-O-(6''-O-acetylglucoside) 56 59 0 0 0 0 0 0 0 0999 V2000 -7.9540 0.3565 -2.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4966 0.0304 -2.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5945 0.8446 -2.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1966 -1.2341 -1.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 -1.7004 -1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 -0.8811 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -1.4417 -0.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 -0.7257 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -0.8885 0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 0.0533 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 1.3928 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 2.3362 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6546 3.6491 0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.9177 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3414 2.7939 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 4.0270 -0.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 2.2862 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8257 0.9285 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 0.3839 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 1.1437 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5671 0.5468 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7192 -0.8096 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9861 -1.4062 0.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5721 -1.5699 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3131 -1.0085 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 0.1247 0.1939 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 0.5508 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -0.3400 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 -1.1931 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 -0.8195 2.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1788 -0.5902 1.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8734 -1.0648 3.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -0.9344 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 -2.1488 0.8169 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5949 -0.3259 -1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1161 1.3861 -2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2084 0.3890 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 -2.7427 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 -1.8185 -2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 0.1756 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4514 0.3480 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 1.7979 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 4.4882 0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 3.0158 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2201 2.2168 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 1.1895 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4226 -1.5349 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6727 -2.6435 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 -1.6064 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -1.3994 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9206 -2.2964 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -1.5808 3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0544 0.5313 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 -1.1810 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7683 -0.1572 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9409 -2.8614 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 18 26 1 0 26 27 1 0 27 28 2 0 8 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 6 1 0 28 10 1 0 27 14 1 0 25 19 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 8 41 1 0 11 42 1 0 13 43 1 0 17 44 1 0 20 45 1 0 21 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 28 50 1 0 29 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 M END