Mrv1652309092221582D 40 42 0 0 1 0 999 V2000 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -16.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -17.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -18.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 4 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 19 34 1 0 0 0 0 15 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 11 37 1 0 0 0 0 7 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 3 40 1 0 0 0 0 M END > NP0289666 > NP-MRD > COC1=CC(C)=C(C(=O)OC2=CC(C)=C(C(=O)OC3=CC(C)=C(C(O)=N[C@H](C)C(O)=O)C(O)=C3)C(O)=C2)C(O)=C1 > InChI=1S/C28H27NO11/c1-12-7-17(10-19(30)22(12)25(33)29-15(4)26(34)35)39-28(37)24-14(3)8-18(11-21(24)32)40-27(36)23-13(2)6-16(38-5)9-20(23)31/h6-11,15,30-32H,1-5H3,(H,29,33)(H,34,35)/t15-/m1/s1 > MRXFLJQBLAIVOO-OAHLLOKOSA-N > C28H27NO11 > 553.52 > 553.158410693 > 10 > 67 > 57.00786280361269 > 0 > 5 > 0 > 0 > (2R)-2-{[hydroxy({2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylphenyl})methylidene]amino}propanoic acid > 7.658681616333333 > 1 > 3 > 0 > 7.171473554544214 > 3.211778349562026 > 0.3877639250359256 > 192.40999999999997 > 142.26859999999996 > 10 > 0 > (2R)-2-{[hydroxy({2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylphenyl})methylidene]amino}propanoic acid > 0 > NP0289666 > (2r)-2-{[hydroxy({2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylphenyl})methylidene]amino}propanoic acid $$$$