Mrv1652309032207352D 36 40 0 0 1 0 999 V2000 5.5539 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -0.1105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2211 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 1.3184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2211 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 1.3184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8711 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 0.6039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6961 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 -0.1105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8711 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.8250 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 4 6 1 0 0 0 0 6 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 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 14 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 3 34 1 0 0 0 0 34 35 2 0 0 0 0 7 35 1 0 0 0 0 35 36 1 0 0 0 0 11 36 1 0 0 0 0 30 36 2 0 0 0 0 M END > NP0169591 > NP-MRD > COC1=C(O)C=C2C(=O)OC3=C(O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC(C)=O)=CC4=C3C2=C1OC4=O > InChI=1S/C23H20O13/c1-6-14(26)16(28)20(33-7(2)24)23(32-6)34-11-5-9-12-13-8(21(29)35-18(12)15(11)27)4-10(25)17(31-3)19(13)36-22(9)30/h4-6,14,16,20,23,25-28H,1-3H3/t6-,14-,16+,20+,23-/m0/s1 > HGKXWVIFXNLJBP-YAWJASLASA-N > C23H20O13 > 504.4 > 504.090390704 > 10 > 56 > 46.95591012083976 > 1 > 4 > 0 > 0 > (2S,3R,4R,5R,6S)-2-({7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl acetate > 1.54 > 1.0317837576666657 > -2.62 > 0 > 5 > -1 > 9.582874250723094 > 6.1709350440832775 > -3.612922543464207 > 187.51 > 114.84209999999999 > 5 > 0 > 1.21e+00 g/l > (2S,3R,4R,5R,6S)-2-({7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl acetate > 0 > NP0169591 > (2s,3r,4r,5r,6s)-2-({7,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl acetate $$$$