HMDB0036937 RDKit 3D 1-O-Caffeoylglucose 42 43 0 0 0 0 0 0 0 0999 V2000 0.0696 2.0735 -0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 0.8545 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 0.4645 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 1.3359 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 0.9670 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1026 1.9499 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 1.6485 -0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 0.3402 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2329 0.0297 -0.7728 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -0.6438 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3626 -1.9747 -0.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -0.3279 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 -0.0881 0.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 0.3475 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -0.2759 -0.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 0.2047 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7324 -0.6499 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7765 -1.9790 -1.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 0.2679 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9254 -0.4461 0.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 -0.3604 1.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2336 -1.7426 1.7753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.1249 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1139 0.8041 2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 -0.5974 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 2.3833 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 2.9732 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 2.4425 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5712 -0.9021 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6592 -2.6993 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 -1.1493 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 1.4438 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 1.2297 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 -0.2255 -2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1602 -0.5361 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5303 -2.4265 -1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9799 1.3109 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1053 -1.0165 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 0.0851 2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -2.2619 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 -1.0689 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 0.3291 3.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 5 1 0 23 14 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 14 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 M END