HMDB0125169 RDKit 3D 6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 42 43 0 0 0 0 0 0 0 0999 V2000 5.3298 1.4761 -0.3463 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7259 0.3325 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.2212 -1.8132 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 -0.8428 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 -0.6881 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3267 -0.1893 1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 1.1250 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 1.5353 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6679 0.6366 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 1.0995 0.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.4231 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7218 0.5196 0.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 -0.1818 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9394 0.3284 1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1082 -0.1394 1.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 1.3624 2.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 -0.1167 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 1.0669 -1.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -0.1557 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 -1.3775 -1.8747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 0.8952 -1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8516 2.1369 -1.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 -0.6737 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3483 -1.0975 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -0.0566 -2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 -1.3413 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 -1.6287 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 -1.7024 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1452 0.0048 2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 1.8904 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 2.5784 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.6518 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7679 -1.2784 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7973 1.3290 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0483 -0.9489 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 1.2421 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6926 0.0587 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 -1.7234 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 0.9787 -2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 2.3268 -0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3453 -1.4120 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 -2.1557 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 6 1 0 21 11 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 11 32 1 0 13 33 1 0 16 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