Mrv1533004241505492D 45 51 0 0 0 0 999 V2000 -3.6479 -2.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 -1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2724 -1.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 -0.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 0.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 -1.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4238 1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1647 3.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5344 3.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 3.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 4.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 3.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 2.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5448 1.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 -1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6494 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 1.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 1.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 1.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6929 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 1.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 0.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0684 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 -1.3703 0.0000 O 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 16 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 12 30 1 0 0 0 0 23 30 1 0 0 0 0 14 31 1 0 0 0 0 11 31 1 0 0 0 0 31 32 2 0 0 0 0 7 32 1 0 0 0 0 13 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 33 39 1 0 0 0 0 5 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 3 44 1 0 0 0 0 44 45 1 0 0 0 0 M END > NP0171739 > NP-MRD > OCC1OC(OC2=CC(O)=C3C4C(C(C(C5=CC=C(O)C=C5)C5=C(O)C=C(O)C=C45)C3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O > InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)30-20-9-18(38)10-22(39)27(20)25(14-1-5-16(36)6-2-14)29(21)26(30)15-3-7-17(37)8-4-15/h1-12,24-26,29-43H,13H2 > SYAOMSZLLBLTAU-UHFFFAOYSA-N > C34H32O11 > 616.619 > 616.19446185 > 11 > 77 > 61.30467406246286 > 0 > 9 > 0 > 0 > 2-(hydroxymethyl)-6-{[4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol > 2.52 > 3.0460864586666654 > -3.75 > 0 > 7 > 0 > 9.611963301056878 > 9.130259060840848 > -3.648395345701193 > 200.52999999999997 > 160.0864 > 5 > 0 > 1.09e-01 g/l > 2-(hydroxymethyl)-6-{[4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol > 0 > NP0171739 > 2-(hydroxymethyl)-6-{[4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol $$$$