131753102 CDK 0602212312 29 31 0 0 0 0 0 0 0 0999 V2000 5.2885 0.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 3.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 -1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 -0.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 1.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 1.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8274 -2.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 -2.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -3.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 -2.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7346 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 5 20 1 0 0 0 0 6 21 2 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 24 2 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 20 22 1 0 0 0 0 21 27 1 0 0 0 0 22 25 2 0 0 0 0 22 28 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 M END > CHEBI:175198 > Italipyrone > 2 > 3-[(5-acetyl-4,6-dihydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-7-yl)methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one > C22H24O7 > 400.427 > 400.15220 > 0 > O1C(CC=2C1=C(CC3=C(O)C(=C(OC3=O)CC)C)C(O)=C(C2O)C(=O)C)C(C)=C > InChI=1S/C22H24O7/c1-6-15-10(4)18(24)14(22(27)29-15)7-12-19(25)17(11(5)23)20(26)13-8-16(9(2)3)28-21(12)13/h16,24-26H,2,6-8H2,1,3-5H3 > ZWZHMUVNNKKVBT-UHFFFAOYSA-N $$$$