HMDB0304280 RDKit 3D caffeoyl-4'-hydroxyphenyllactate 40 41 0 0 0 0 0 0 0 0999 V2000 0.1098 3.2905 -0.5957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 2.1931 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 2.3872 -1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1669 1.6812 -1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 0.3099 -1.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7949 -0.0757 -2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 -1.3873 -2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -2.4068 -1.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 -3.7536 -2.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 -2.0843 -1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 -3.0953 -1.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6558 -0.7433 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 1.0911 -0.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 1.0812 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 0.4156 1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 0.2786 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 1.3624 2.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 1.2436 3.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0637 0.0660 3.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 -0.0884 3.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -1.0046 2.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 -0.8790 1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 0.4690 -1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -0.6487 -1.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4924 1.1032 -2.4147 O 0 0 0 0 0 1 0 0 0 0 0 0 2.3751 3.5370 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.3627 -1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 0.7389 -2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -1.5859 -2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 -3.9487 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 -4.0570 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 -0.5823 -1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6175 2.1742 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5717 0.8962 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -0.6225 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6256 2.2977 2.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 2.0751 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3039 -0.4006 4.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0709 -1.9387 2.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 -1.7517 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 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 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 14 23 1 0 23 24 2 0 23 25 1 0 12 5 1 0 22 16 1 0 3 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M CHG 1 25 -1 M END