Mrv1652304222011362D 16 16 0 0 1 0 999 V2000 2.0314 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 -2.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 -3.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 -1.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 -3.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 -4.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 -4.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7476 -3.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -5.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -5.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 M END > CHEM041547 > chemdb > OC(CCC(O)=O)CC1=CC=C(O)C(O)=C1 > InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16) > JDBYFCLHVYVXCX-UHFFFAOYSA-N > C11H14O5 > 226.2259 > 226.084123558 > 5 > 30 > 22.720270528796135 > 1 > 4 > 0 > 1 > 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid > 0.78 > 0.9508509299999999 > -2.11 > 0 > 1 > -1 > 9.439810348532163 > 3.9069162088562766 > -2.738906422833015 > 97.99000000000001 > 56.79990000000001 > 5 > 1 > 1.75e+00 g/l > 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid > 0 > 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid $$$$