Mrv1533004261501322D 39 44 0 0 0 0 999 V2000 1.2089 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -5.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -5.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -6.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -6.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -6.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -6.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -6.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -6.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -7.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -7.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -7.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -8.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -7.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -7.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3683 -1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5983 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2803 -1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7652 -1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2803 -2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -2.3479 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 2 0 0 0 0 3 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 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 28 29 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 33 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 23 39 1 0 0 0 0 31 39 1 0 0 0 0 M END > NP0330153 > NP-MRD > COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1C2C(COC2=O)CC2=CC3=C(OCO3)C=C12 > InChI=1S/C27H30O12/c1-33-17-5-12(6-18(34-2)25(17)39-27-24(31)23(30)22(29)19(8-28)38-27)20-14-7-16-15(36-10-37-16)4-11(14)3-13-9-35-26(32)21(13)20/h4-7,13,19-24,27-31H,3,8-10H2,1-2H3 > QMXNRLBPHJPLKV-UHFFFAOYSA-N > C27H30O12 > 546.525 > 546.173726406 > 11 > 69 > 54.18895518367607 > 0 > 4 > 0 > 0 > 10-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one > 0.98 > 0.39809046000000037 > -3.06 > 1 > 6 > 0 > 13.19599566885724 > 12.199887080240053 > -2.9810923662076965 > 162.6 > 130.1504 > 6 > 0 > 4.72e-01 g/l > 10-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one > 0 > NP0330153 > 10-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one $$$$