44256911 CDK 0409211652 64 69 0 0 0 0 0 0 0 0999 V2000 7.0941 1.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6753 1.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 -0.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 1.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 -1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 -0.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4040 2.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 -1.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 -0.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8233 1.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 -1.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 3.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 -1.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0824 3.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 2.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5082 -1.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1614 5.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5615 3.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5806 5.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 2.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8798 -5.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 0.2067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0941 -0.2058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3797 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 1.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3754 -0.2104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0946 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 0.2104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1041 1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3945 1.4395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6652 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9466 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6944 2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2655 2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9752 2.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2751 3.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7039 3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7805 2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5428 3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7904 3.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 -1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4231 3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2179 -1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1328 3.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4326 4.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2083 -2.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1518 5.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8519 3.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8615 4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9179 -2.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 -3.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 -3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 -3.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6085 -4.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1797 -4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 -5.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 28 1 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 24 3 1 6 0 0 0 3 40 1 0 0 0 0 28 4 1 1 0 0 0 4 36 1 0 0 0 0 25 5 1 1 0 0 0 6 27 1 0 0 0 0 33 7 1 1 0 0 0 7 37 1 0 0 0 0 29 8 1 6 0 0 0 9 30 1 0 0 0 0 10 32 1 0 0 0 0 11 34 1 0 0 0 0 11 46 1 0 0 0 0 12 35 1 0 0 0 0 12 49 1 0 0 0 0 13 41 2 0 0 0 0 13 42 1 0 0 0 0 14 40 2 0 0 0 0 15 45 1 0 0 0 0 16 46 2 0 0 0 0 17 49 2 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 22 56 2 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 35 1 1 0 0 0 32 33 1 0 0 0 0 36 38 1 0 0 0 0 36 43 2 0 0 0 0 37 39 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 41 1 0 0 0 0 40 47 1 0 0 0 0 41 44 1 0 0 0 0 42 48 1 0 0 0 0 43 45 1 0 0 0 0 44 45 2 0 0 0 0 46 50 1 0 0 0 0 48 51 2 0 0 0 0 48 52 1 0 0 0 0 49 53 1 0 0 0 0 50 56 1 0 0 0 0 51 55 1 0 0 0 0 52 54 2 0 0 0 0 53 58 2 0 0 0 0 54 57 1 0 0 0 0 55 57 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 2 0 0 0 0 62 64 2 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 13 1 M END > CHEBI:169198 > Acetylmalonylawobanin > 2 > 3-[[(3S,4R,6S)-3-acetyloxy-4,5-dihydroxy-6-[7-hydroxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid > C41H41O23 > 901.755 > 901.20331 > 1 > O1C([C@@H](OC(=O)C)[C@H](O)C(O)[C@@H]1OC=2C3=CC(O[C@@H]4O[C@@H]([C@@H](O)C(O)C4O)COC(=O)/C=C/C5=CC=C(O)C=C5)=C([O+]=C3C=C(O)C2)C6=CC(O)=C(O)C(O)=C6)COC(=O)CC(O)=O > InChI=1S/C41H40O23/c1-16(42)59-39-28(15-58-31(50)13-29(47)48)64-41(37(56)35(39)54)61-25-11-20(44)10-24-21(25)12-26(38(60-24)18-8-22(45)32(51)23(46)9-18)62-40-36(55)34(53)33(52)27(63-40)14-57-30(49)7-4-17-2-5-19(43)6-3-17/h2-12,27-28,33-37,39-41,52-56H,13-15H2,1H3,(H5-,43,44,45,46,47,48,49,51)/p+1/t27-,28?,33-,34?,35-,36?,37?,39-,40-,41-/m1/s1 > DBWMGCIKSXJMRD-USZYXHOTSA-O > LMPK12010306 $$$$