HMDB0301708 RDKit 3D Galloyl glucose 39 40 0 0 0 0 0 0 0 0999 V2000 0.9338 1.9452 -0.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2112 0.8542 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1613 -0.0097 -0.0649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 0.2937 -0.3944 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8952 0.2456 0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 0.4320 0.6671 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8908 -0.1027 1.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 0.5833 3.0512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -0.1653 -0.5514 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8249 0.7942 -1.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -1.3464 -0.9744 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6978 -2.1629 0.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 -0.7077 -1.4040 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9239 -0.1045 -2.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 0.5540 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 -0.6342 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.8438 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -2.0278 1.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2356 0.1068 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 -0.1362 0.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8872 1.2975 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8566 2.2655 -0.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5645 1.4886 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 1.3133 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4671 1.5213 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9939 0.0383 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -1.1770 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8672 0.2321 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 -0.5509 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 0.6629 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 -1.8729 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -2.5478 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -1.5060 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -0.7410 -3.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -1.3464 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 -2.7344 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2837 0.5411 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 3.1248 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 2.4236 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 2 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 13 4 1 0 23 15 1 0 4 24 1 6 6 25 1 6 7 26 1 0 7 27 1 0 8 28 1 0 9 29 1 1 10 30 1 0 11 31 1 6 12 32 1 0 13 33 1 6 14 34 1 0 16 35 1 0 18 36 1 0 20 37 1 0 22 38 1 0 23 39 1 0 M END