Mrv2104 06072104352D 15 15 0 0 0 0 999 V2000 6.4606 -4.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6356 -4.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 -3.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6356 -3.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 -3.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 -3.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 -1.0977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 -1.8140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 -2.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -3.2368 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 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END > PHUB001990 > phytohub > COC1=CC=C(C=C1)C(=O)NCC(O)=O > InChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) > SIEIOUWSTGWJGE-UHFFFAOYSA-N > C10H11NO4 > 209.201 > 209.068807838 > 4 > 26 > -0.9998658422496312 > 20.633150616780217 > 1 > 2 > 0 > 1 > 2-[(4-methoxyphenyl)formamido]acetic acid > 0.49 > 0.3678742186666669 > -2.23 > 0 > -1 > 1 > -1 > 15.15472421321312 > 3.12771233241685 > -1.1762786679703232 > 75.63 > 52.5809 > 4 > 1 > 1.24e+00 g/l > [(4-methoxyphenyl)formamido]acetic acid > 0 $$$$