HMDB0041617 RDKit 3D Chavicol O-beta-glucopyranoside 41 42 0 0 0 0 0 0 0 0999 V2000 6.7582 -0.6209 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 0.2429 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 0.9094 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 0.6545 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -0.4067 1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 -0.6457 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7898 0.1922 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 -0.0947 0.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 0.5993 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 -0.2061 -1.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -0.9233 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -0.3623 -2.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4875 -1.0344 -1.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.1382 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0529 -2.3908 0.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0994 -0.0400 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 -0.5006 1.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 1.1552 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 1.9519 1.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 1.2463 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 1.4799 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 -0.8465 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -1.1043 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 0.4481 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 2.0105 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 0.5852 1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 -1.0700 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -1.4759 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 1.4542 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -1.9551 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3858 0.7370 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -0.5577 -3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0882 -0.3925 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6213 -1.2145 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 -3.0883 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 0.3096 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 -1.3880 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 1.7671 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 1.4485 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 1.9163 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 2.3483 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 1 0 20 21 2 0 21 4 1 0 18 9 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 M END