HMDB0031586 RDKit 3D 7-Hydroxy-8-O-methylaloin B 56 59 0 0 0 0 0 0 0 0999 V2000 4.6469 -3.2534 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -3.1291 1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -2.8816 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -3.9387 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -5.2657 0.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 -3.6526 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3329 -2.3694 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 -1.3005 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 -1.5553 0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 -0.4979 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -0.7475 1.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 0.8622 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3409 1.8643 0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 1.7268 0.6497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 3.0920 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 3.2837 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 4.5964 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 5.4779 -1.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 2.3046 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 1.0772 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0535 0.0694 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.3624 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 0.0078 -0.9681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 0.0504 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 1.0955 -2.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8943 0.7992 -3.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0779 0.3348 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 1.6638 0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -0.5034 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -1.8654 0.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -0.0746 1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -1.0349 2.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7439 -4.3380 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 -2.7480 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 -2.9464 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -5.4474 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -4.4643 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 -2.1274 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 1.0086 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6568 3.8998 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 4.4156 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 5.0539 -0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 5.1809 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3566 2.4327 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 0.1922 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 1.4679 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 -0.9218 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2915 2.1201 -1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6218 1.0679 -2.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 0.0196 -3.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 0.0333 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0299 2.0304 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2407 -0.2391 2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 -2.0520 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 0.8008 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -1.0375 3.1195 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 9 3 1 0 20 12 1 0 31 22 1 0 21 8 1 0 1 33 1 0 1 34 1 0 1 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 21 45 1 0 22 46 1 0 24 47 1 0 25 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 29 53 1 0 30 54 1 0 31 55 1 0 32 56 1 0 M END