Mrv1652304222011052D 14 14 0 0 1 0 999 V2000 2.9501 -4.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -3.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -3.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 -1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 -2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 -3.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 -3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -3.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 -2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 13 2 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 M END > FDB023184 > foodb > OC(CC1=CC=C(O)C(O)=C1)C(O)=O > InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14) > PAFLSMZLRSPALU-UHFFFAOYSA-N > C9H10O5 > 198.1727 > 198.05282343 > 5 > 24 > 18.39550967033708 > 1 > 4 > 0 > 1 > 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid > 0.77 > 0.5773662063333331 > -1.47 > 0 > 1 > -1 > 9.28494383013577 > 3.258224734768921 > -3.8352708457687443 > 97.99000000000001 > 47.42060000000001 > 3 > 1 > 6.70e+00 g/l > danshensu > 0 > FDB023184 > 3-(3,4-Dihydroxyphenyl)lactic acid $$$$