HMDB0039323 RDKit 3D 6''-O-Malonylglycitin 62 65 0 0 0 0 0 0 0 0999 V2000 0.8040 2.1994 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 1.4828 1.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 0.8507 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 0.9350 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4054 0.3285 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 0.3822 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 1.0136 1.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -0.2535 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0827 -0.2116 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7279 0.9733 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 1.0177 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8558 -0.1351 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -0.1383 -0.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -1.3014 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8248 -1.3738 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 -0.9302 -1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -0.9766 -1.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 -0.3770 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 -0.4585 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 0.1534 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 0.0288 -0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 0.4529 -0.0438 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6567 -0.6883 0.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -0.2948 0.3849 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6707 -1.4750 1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9583 -1.3235 1.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1686 -1.1774 0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3599 -1.1677 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3664 -1.0166 1.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5936 -0.8719 0.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7157 -0.7229 1.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5894 -0.8908 -0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5853 -0.0530 -0.9979 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4610 1.0233 -0.9427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 0.3813 -1.9172 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6261 -0.6938 -2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 1.3321 -1.0707 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4569 2.2263 -0.4707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5304 2.9617 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 2.7861 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 1.5434 3.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8783 1.4898 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1587 1.9032 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 1.9670 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7071 0.7145 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7592 -2.2072 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 -2.2736 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6584 -1.4372 -2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -1.0122 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 1.0527 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 0.5748 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 -2.3367 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 -1.8840 1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4468 -1.8417 2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2089 -0.0450 2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5502 -1.7863 -0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0724 -0.9099 -1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4389 1.5948 -1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8179 0.8394 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9247 -1.5569 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8206 1.8192 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 3.0748 -0.2430 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 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 2 0 16 17 1 0 17 18 1 0 18 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 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 24 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 20 3 1 0 37 22 1 0 18 5 2 0 15 9 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 19 49 1 0 22 50 1 1 24 51 1 1 25 52 1 0 25 53 1 0 29 54 1 0 29 55 1 0 32 56 1 0 33 57 1 6 34 58 1 0 35 59 1 6 36 60 1 0 37 61 1 6 38 62 1 0 M END