HMDB0029303 RDKit 3D 1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman 37 39 0 0 0 0 0 0 0 0999 V2000 -0.2076 -4.3380 0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 -4.1164 -0.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -2.8142 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -1.7748 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -0.4771 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 0.6067 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 0.7781 1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 0.0112 1.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.8143 2.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 1.9514 3.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3374 2.6492 2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 2.4820 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 1.4496 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6192 1.3304 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 1.2699 0.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 2.3786 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 3.2846 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.1896 -2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -1.2753 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 -2.5543 -2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -3.6356 -3.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -3.8656 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 -3.7997 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -5.4253 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 -1.9472 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 -0.4732 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 1.3427 3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 3.4429 2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 2.2171 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 0.4402 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5456 2.1374 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 3.0247 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 3.9419 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0871 3.9116 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 0.8180 -2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 -1.0593 -3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -3.5366 -4.3309 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 7 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 5 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 3 1 0 13 6 1 0 17 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 14 29 1 0 14 30 1 0 16 31 1 0 16 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 M END