Mrv2104 06072104352D 41 45 0 0 1 0 999 V2000 6.0447 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 -6.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -6.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -6.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -7.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -8.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -7.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -8.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 -9.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1793 -8.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1793 -7.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 -9.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 -9.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9004 -9.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 -6.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1793 -10.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1793 -11.2346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9004 -11.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6118 -11.2346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6118 -10.4091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9004 -9.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3234 -9.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 -11.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9004 -12.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 -11.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 -12.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -11.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -5.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -4.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9005 -3.8061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1795 -4.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1795 -5.0393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9005 -5.4568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4680 -5.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -3.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 -2.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -3.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -2.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 -4.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 8 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 23 16 1 1 0 0 0 35 17 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 1 0 0 0 20 21 1 0 0 0 0 20 26 1 6 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 39 1 1 0 0 0 32 33 1 0 0 0 0 32 38 1 6 0 0 0 33 34 1 0 0 0 0 33 37 1 1 0 0 0 34 35 1 0 0 0 0 34 36 1 6 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 M END > PHUB001999 > phytohub > O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O > InChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1 > SXMJSEFKPOZNAT-ILJCXFEASA-N > C25H24O16 > 580.451 > 580.106434693 > 15 > 65 > -1.9998002303614868 > 53.13748186261595 > 0 > 8 > 0 > 0 > (2S,3S,4S,5R,6S)-6-[(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxo-6H-benzo[c]chromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > -0.41 > -1.5773903126666668 > -2.41 > 1 > -2 > 5 > -2 > 3.4322314422302744 > 2.821107768201382 > -3.731998649688452 > 259.2 > 124.92449999999998 > 6 > 0 > 2.25e+00 g/l > (2S,3S,4S,5R,6S)-6-[(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxobenzo[c]chromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 $$$$