4947 -OEChem-10051722463D 27 27 0 0 0 0 0 0 0999 V2000 -2.1076 -0.0513 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -2.7078 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 1.7977 -0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0728 -0.9266 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 2.1730 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.9616 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 0.3082 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 0.4814 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 1.3814 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -0.8915 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2026 0.9748 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.3644 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 0.9085 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -0.6573 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.4644 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -1.5771 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.5640 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 0.9027 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 0.9067 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 2.4531 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -1.6240 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0921 -0.0893 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 -1.5871 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1091 -0.0747 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -2.8550 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 2.7015 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.1620 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END > DB12450 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZTHYODDOHIVTJV-UHFFFAOYSA-N/SDF?record_type=3d > CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 > ZTHYODDOHIVTJV-UHFFFAOYSA-N > C10H12O5 > 212.1993 > 212.068473494 > 4 > 27 > -0.0720704398795738 > 21.208238302087423 > 1 > 3 > 0 > 1 > propyl 3,4,5-trihydroxybenzoate > 1.84 > 1.9453571646666665 > -2.09 > 0 > 0 > 1 > 0 > 11.285152159093064 > 8.109865885936056 > -5.548890456901587 > 86.99 > 53.29860000000001 > 4 > 1 > 1.71e+00 g/l > tetrahydrofolic acid > 0 $$$$