ChEBI Marvin 09080512162D 14 15 0 0 0 0 999 V2000 5.4415 -4.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7724 -4.4387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5853 -4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 -2.3334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 -2.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 -2.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 -3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 -3.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0162 -3.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -3.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2544 -5.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 -5.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 3 2 1 0 0 0 0 8 2 1 0 0 0 0 5 4 1 0 0 0 0 6 4 1 0 0 0 0 8 5 2 0 0 0 0 7 6 2 0 0 0 0 9 6 1 0 0 0 0 8 7 1 0 0 0 0 10 7 1 0 0 0 0 12 9 2 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 M END > CHEBI:15976 > 3-indoleglycolaldehyde > 3 > CHEBI:1560; CHEBI:11842; CHEBI:20087 > 3-indolylglycolaldehyde; 3-Indoleglycolaldehyde; 3-indoleglycolaldehyde; 3-Indoleglycolaldehyde > hydroxy(1H-indol-3-yl)acetaldehyde > C10H9NO2 > 175.18400 > 175.06333 > 0 > [H]C(=O)C(O)c1c[nH]c2ccccc12 > InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,10-11,13H > XKZDNWMDLGQXML-UHFFFAOYSA-N > C03230 $$$$