Mrv1652309112114402D 18 20 0 0 0 0 999 V2000 3.5852 1.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8047 1.3880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -0.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1101 1.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 10 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 2 0 0 0 0 M END > HMDB0253812 > hmdb > O=CN1CCC(=CC2=CC3=C(OCO3)C=C2)C1=O > InChI=1S/C13H11NO4/c15-7-14-4-3-10(13(14)16)5-9-1-2-11-12(6-9)18-8-17-11/h1-2,5-7H,3-4,8H2 > LZGGUFLRKIMBDQ-UHFFFAOYSA-N > C13H11NO4 > 245.234 > 245.068807838 > 4 > 29 > 24.678052683012826 > 1 > 0 > 0 > 1 > 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-oxopyrrolidine-1-carbaldehyde > 0.62 > 1.0379803836666666 > -2.28 > 0 > 3 > 0 > -3.799277618555203 > 55.84 > 63.24660000000001 > 1 > 1 > 1.27e+00 g/l > 3-(2H-1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde > 0 > HMDB0253812 > 1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo- $$$$