74976889 CDK 1202211636 61 66 0 0 0 0 0 0 0 0999 V2000 7.0941 1.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4040 2.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 0.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 -0.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 -0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9466 0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 0.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9657 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7947 -0.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 4.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0824 4.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 2.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2236 -0.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5806 5.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 2.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1759 -4.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 -5.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3755 0.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8086 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0946 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6753 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8086 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3945 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8043 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 2.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6944 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2656 3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9752 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7039 3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2751 3.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7805 3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5428 4.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7904 3.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4231 4.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5043 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4326 5.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1328 3.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4949 -1.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1519 5.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8519 4.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8615 5.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -2.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7661 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4757 -3.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0469 -3.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -4.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0374 -4.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7470 -4.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1663 -5.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 30 1 0 0 0 0 2 28 1 0 0 0 0 2 31 1 0 0 0 0 3 30 1 0 0 0 0 3 34 1 0 0 0 0 4 31 1 0 0 0 0 4 35 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 10 29 1 0 0 0 0 11 32 1 0 0 0 0 11 44 1 0 0 0 0 12 33 1 0 0 0 0 12 45 1 0 0 0 0 13 38 1 0 0 0 0 13 39 2 0 0 0 0 14 42 1 0 0 0 0 15 44 2 0 0 0 0 16 45 2 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 53 2 0 0 0 0 20 58 1 0 0 0 0 20 61 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 32 1 0 0 0 0 27 30 1 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 34 36 1 0 0 0 0 34 40 2 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 36 37 2 0 0 0 0 36 39 1 0 0 0 0 38 43 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 2 0 0 0 0 43 47 2 0 0 0 0 43 48 1 0 0 0 0 44 46 1 0 0 0 0 45 49 1 0 0 0 0 46 53 1 0 0 0 0 47 50 1 0 0 0 0 48 51 2 0 0 0 0 49 54 2 3 0 0 0 50 52 2 0 0 0 0 51 52 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 59 2 0 0 0 0 58 60 2 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 13 1 M END > CHEBI:184941 > {[6-({5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]oxidanium > 2 > 3-oxo-3-[[3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid > C40H41O21 > 857.746 > 857.21348 > 1 > O1C(C(O)C(O)C(O)C1OC=2C3=CC(OC4OC(C(O)C(O)C4O)COC(=O)C=CC5=CC(OC)=C(O)C=C5)=C([O+]=C3C=C(O)C2)C6=CC=C(O)C=C6)COC(=O)CC(O)=O > InChI=1S/C40H40O21/c1-54-25-10-17(2-8-22(25)43)3-9-30(46)55-15-27-32(48)35(51)37(53)40(61-27)59-26-13-21-23(57-38(26)18-4-6-19(41)7-5-18)11-20(42)12-24(21)58-39-36(52)34(50)33(49)28(60-39)16-56-31(47)14-29(44)45/h2-13,27-28,32-37,39-40,48-53H,14-16H2,1H3,(H3-,41,42,43,44,45,46)/p+1 > ZWBURTPIYLFHIK-UHFFFAOYSA-O $$$$