7436 -OEChem-03282413512D 24 24 0 0 0 0 0 0 0999 V2000 3.4030 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 M END > 7436 > 1 > 184 > 4 > 3 > 3 > AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADATBmAQyBoLAAgCIAqBSAAACAAAkIAAIiIGOiMgJJjKClTOEcQEkwBEJmYea3LLOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone > 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone > 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone > 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone > 1-[3,4-bis(oxidanyl)phenyl]-2-(methylamino)ethanone > 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone > InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3 > PZMVOUYYNKPMSI-UHFFFAOYSA-N > 0.5 > 181.07389321 > C9H11NO3 > 181.19 > CNCC(=O)C1=CC(=C(C=C1)O)O > CNCC(=O)C1=CC(=C(C=C1)O)O > 69.6 > 181.07389321 > 0 > 13 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 11 12 8 5 8 8 5 9 8 8 10 8 9 11 8 $$$$