131835641 CDK 1202211636 28 30 0 0 0 0 0 0 0 0999 V2000 2.4751 0.9529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -1.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4765 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9054 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9054 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4765 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1909 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1676 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9054 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 16 2 0 0 0 0 5 25 1 0 0 0 0 6 19 2 0 0 0 0 7 26 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 18 2 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:185312 > {2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid > 2 > [2-hydroxy-5-[3-(4-methoxy-1-benzouran-5-yl)-3-oxopropanoyl]phenyl] hydrogen sulate > C18H14O9S > 406.360 > 406.03585 > 0 > S(OC=1C=C(C(=O)CC(=O)C2=C(OC)C3=C(OC=C3)C=C2)C=CC1O)(O)(=O)=O > InChI=1S/C18H14O9S/c1-25-18-11(3-5-16-12(18)6-7-26-16)15(21)9-14(20)10-2-4-13(19)17(8-10)27-28(22,23)24/h2-8,19H,9H2,1H3,(H,22,23,24) > XLNZTNWNRBBGBI-UHFFFAOYSA-N $$$$