Mrv1533004171500522D 62 72 0 0 0 0 999 V2000 -2.5302 -3.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 -3.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -4.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 -3.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 -4.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -4.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -3.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -1.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 1.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2876 1.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 -0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6807 -0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9586 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 -2.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 -2.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 -2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0984 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 -2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 -1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8146 -3.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 -4.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 -4.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 -4.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -5.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 -4.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 -3.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 0.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5828 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0106 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0572 0.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8045 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9797 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 2.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5179 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 -5.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7971 -5.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -5.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -6.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -4.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 -5.1971 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 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 7 32 1 0 0 0 0 31 33 1 0 0 0 0 9 33 2 0 0 0 0 12 33 1 0 0 0 0 30 34 1 0 0 0 0 22 34 1 0 0 0 0 27 34 2 0 0 0 0 29 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 35 41 1 0 0 0 0 21 42 1 0 0 0 0 13 42 1 0 0 0 0 18 42 2 0 0 0 0 20 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 43 49 1 0 0 0 0 11 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 2 0 0 0 0 50 56 1 0 0 0 0 5 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 3 61 1 0 0 0 0 61 62 1 0 0 0 0 M END > NP0143297 > NP-MRD > OCC1OC(OC2=CC3=C4C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC5=C3C(C(O5)C3=CC=C(O)C=C3)C3=CC(O)=CC5=C3C(C(O5)C3=CC=C(O)C=C3)C4=C2)C(O)C(O)C1O > InChI=1S/C48H40O14/c49-19-35-42(55)43(56)44(57)48(62-35)58-28-17-31-38-34(18-28)61-46(21-3-9-24(51)10-4-21)40(38)29-13-26(53)15-32-36(29)39(45(59-32)20-1-7-23(50)8-2-20)30-14-27(54)16-33-37(30)41(31)47(60-33)22-5-11-25(52)12-6-22/h1-18,35,39-57H,19H2 > VIVONGHCNYVJQJ-UHFFFAOYSA-N > C48H40O14 > 840.834 > 840.241805968 > 14 > 102 > 85.81024513626524 > 0 > 9 > 0 > 0 > 2-{[15,23-dihydroxy-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(24),5(27),6,8,13(26),14,16,21(25),22-nonaen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 4.60 > 5.406242657666666 > -4.58 > 1 > 11 > 0 > 9.171225687068645 > 8.772848611148603 > -3.6483953457012124 > 228.21999999999997 > 219.89639999999997 > 6 > 0 > 2.20e-02 g/l > 2-{[15,23-dihydroxy-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(24),5(27),6,8,13(26),14,16,21(25),22-nonaen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0143297 > 2-{[15,23-dihydroxy-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1²,⁵.1¹⁰,¹³.0²¹,²⁵.0⁹,²⁷.0¹⁷,²⁶]heptacosa-1(24),5(27),6,8,13(26),14,16,21(25),22-nonaen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$