HMDB0030760 RDKit 3D Pteroside B 55 57 0 0 0 0 0 0 0 0999 V2000 1.3423 2.4079 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 1.1840 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 1.2621 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 0.1580 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -1.0587 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -1.1321 0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -2.4232 0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -0.0319 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2253 -0.1891 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.2265 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.3764 -0.6656 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 0.6535 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0733 0.2517 1.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 -0.4884 1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1898 0.0688 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5121 1.3790 1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8156 -0.6835 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2052 -0.8395 0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 0.4314 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8295 1.1498 -1.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 1.4111 -0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9697 1.9601 -1.8826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9451 -2.0671 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -3.3014 -0.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 -1.2650 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4600 -0.9118 1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8686 -0.0164 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 2.3649 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 3.2765 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 2.6418 -1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 2.2116 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 -2.6078 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -2.4054 1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 -3.2722 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 -1.1742 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 0.5678 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 0.7209 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -1.0906 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 1.3786 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 -1.5183 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -0.6000 2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6373 0.0242 3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3424 1.5303 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4883 -1.6336 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6536 -1.1132 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 0.0413 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6323 1.9054 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9184 2.2368 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5324 2.8358 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 -1.8123 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -1.7491 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8635 -0.0341 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5635 -0.6986 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 -0.1911 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 0.8581 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 5 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 8 2 1 0 21 12 1 0 27 4 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 7 32 1 0 7 33 1 0 7 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 25 50 1 0 26 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 27 55 1 0 M END