Mrv1533004191514382D 47 52 0 0 0 0 999 V2000 11.4395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -0.3020 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 4 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 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 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 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 21 23 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 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 21 37 1 0 0 0 0 26 37 1 0 0 0 0 37 38 1 0 0 0 0 33 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 18 42 1 0 0 0 0 12 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 6 45 1 0 0 0 0 45 46 2 0 0 0 0 3 46 1 0 0 0 0 46 47 1 0 0 0 0 M END > NP0191222 > NP-MRD > COC1=CC=C(C=CC(=O)OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CC(C5CCC43C)C(O)=O)C2(C)C)C=C1O > InChI=1S/C40H56O7/c1-22-19-26(36(44)45)25-15-17-39(6)27(34(25)23(22)2)11-13-32-38(5)21-29(42)35(37(3,4)31(38)16-18-40(32,39)7)47-33(43)14-10-24-9-12-30(46-8)28(41)20-24/h9-12,14,20,22-23,25-26,29,31-32,34-35,41-42H,13,15-19,21H2,1-8H3,(H,44,45) > ZVKVEBFQRKPFKG-UHFFFAOYSA-N > C40H56O7 > 648.881 > 648.402604143 > 6 > 103 > 76.15711138428696 > 0 > 3 > 0 > 0 > 11-hydroxy-10-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-carboxylic acid > 7.07 > 7.810560727666666 > -5.95 > 1 > 6 > -1 > 9.822937070992623 > 4.656131926139814 > -3.1748220896894113 > 113.29000000000002 > 183.11890000000002 > 6 > 0 > 7.28e-04 g/l > 11-hydroxy-10-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-hexadecahydropicene-4-carboxylic acid > 0 > NP0191222 > 11-hydroxy-10-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-hexadecahydropicene-4-carboxylic acid $$$$