HMDB0059747 RDKit 3D 4-Hydroxy-3-methoxy-cinnamoylglycine 31 31 0 0 0 0 0 0 0 0999 V2000 -2.0708 -2.1057 3.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 -2.3006 2.7124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 -1.7792 1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 -1.0351 1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 -0.4784 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0342 0.2982 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 0.8855 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6311 1.6592 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 2.1707 -2.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 1.8810 -0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 2.6658 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 2.0251 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 0.9738 -1.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8284 2.6094 -1.7834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -0.6825 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2558 -1.4419 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5615 -1.9916 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7328 -2.7507 0.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -2.4720 3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -1.0358 4.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4033 -2.6773 4.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 -0.8444 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 0.4258 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 0.7624 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 1.4714 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2482 2.7724 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 3.6720 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5286 2.0624 -2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -0.2690 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 -1.6075 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3207 -2.8632 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 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 2 0 12 14 1 0 5 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 3 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 18 31 1 0 M END