Ketcher 09302218472D 1 1.00000 0.00000 0 29 31 0 0 0 999 V2000 11.4504 -8.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -5.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -5.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5842 -5.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9887 -6.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7179 -5.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4504 -5.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -5.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -9.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -10.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9864 -8.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7179 -6.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4504 -6.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7179 -9.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5842 -7.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5842 -10.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -8.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -4.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -5.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -10.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -11.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -8.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5842 -11.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4504 -9.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5842 -8.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4015 -5.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4015 -7.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 -7.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7179 -8.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 2 3 2 0 0 0 2 6 1 0 0 0 3 8 1 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 5 26 1 0 0 0 5 27 1 0 0 0 6 12 1 0 0 0 7 13 2 0 0 0 7 26 1 0 0 0 8 18 2 0 0 0 8 19 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 9 20 1 0 0 0 10 14 1 0 0 0 10 21 1 0 0 0 11 17 1 0 0 0 11 22 1 0 0 0 12 15 2 0 0 0 12 28 1 0 0 0 13 15 1 0 0 0 13 27 1 0 0 0 14 16 1 0 0 0 14 29 1 0 0 0 15 25 1 0 0 0 16 23 2 0 0 0 16 24 1 0 0 0 17 28 1 0 0 0 17 29 1 0 0 0 M END > CHEBI:193503 > 6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 2 > C17H18O12 > 414.319 > 414.07983 > 0 > COC1=C(C(/C=C/C(=O)O)=CC2=C1OCO2)OC3C(C(C(C(C(=O)O)O3)O)O)O > InChI=1S/C17H18O12/c1-25-15-12(6(2-3-8(18)19)4-7-13(15)27-5-26-7)28-17-11(22)9(20)10(21)14(29-17)16(23)24/h2-4,9-11,14,17,20-22H,5H2,1H3,(H,18,19)(H,23,24)/b3-2+ > UJIOVQDNLNPPMW-NSCUHMNNSA-N $$$$