HMDB0041517 RDKit 3D beta-D-Glucopyranosyl anthranilate 38 39 0 0 0 0 0 0 0 0999 V2000 -2.5969 1.5009 -0.5552 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 0.4529 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8311 0.6019 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 -0.4285 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0399 -1.6129 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 -1.7604 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 -0.7321 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 -0.9395 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9236 -2.0442 0.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 0.0222 -0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8783 -0.1281 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 0.8304 0.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 0.3386 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 1.2994 1.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 1.5644 3.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4533 -0.1537 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.5659 -0.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 0.2789 -1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 -0.4722 -2.4374 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 0.0865 -1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 1.1147 -2.3244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 1.4733 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6464 2.3980 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2952 1.5333 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7242 -0.3070 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6708 -2.4254 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 -2.6929 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -1.1396 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 -0.5568 1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 2.2786 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 0.8126 2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9252 0.8865 3.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 0.2098 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -1.9147 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 1.3423 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4645 -0.1604 -3.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.8458 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 0.8549 -2.9216 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 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 7 2 1 0 20 11 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END