Mrv1533004171512092D 43 46 0 0 0 0 999 V2000 7.3113 -2.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 -2.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5633 -1.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 -1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8378 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0672 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3418 1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 0.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 2.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 2.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 2.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 3.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 4.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 4.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 3.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 4.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2732 3.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 4.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 4.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4907 2.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 3.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 4.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 4.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7863 4.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 5.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 5.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 2.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 2.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 2.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 3.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 3.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 3.2299 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 1 0 0 0 0 5 3 1 4 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 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 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 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 24 31 1 0 0 0 0 31 32 2 0 0 0 0 27 33 1 0 0 0 0 22 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 15 39 1 0 0 0 0 20 39 1 0 0 0 0 17 40 1 0 0 0 0 40 41 1 0 0 0 0 12 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M END > NP0263483 > NP-MRD > CCC(C)C=CC=CC(=O)OC1CCC2(C)C(CCC3(C)C(CC4=C(O)C(C)=C(C)OC4=O)C(=C)C(O)CC23)OC1(C)C > InChI=1S/C36H52O7/c1-10-21(2)13-11-12-14-31(38)42-29-15-18-36(9)28-20-27(37)23(4)26(19-25-32(39)22(3)24(5)41-33(25)40)35(28,8)17-16-30(36)43-34(29,6)7/h11-14,21,26-30,37,39H,4,10,15-20H2,1-3,5-9H3 > GLJUDWCQRLSFDX-UHFFFAOYSA-N > C36H52O7 > 596.805 > 596.371304014 > 5 > 95 > 68.9319464558832 > 0 > 2 > 0 > 0 > 10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-tetradecahydronaphtho[2,1-b]oxepin-3-yl 6-methylocta-2,4-dienoate > 6.50 > 6.8001819186666665 > -5.86 > 1 > 4 > 0 > 18.54731313296161 > 7.555375420253016 > -1.2467265860765302 > 102.29000000000002 > 171.7323 > 8 > 0 > 8.27e-04 g/l > 10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-decahydronaphtho[2,1-b]oxepin-3-yl 6-methylocta-2,4-dienoate > 0 > NP0263483 > 10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-decahydronaphtho[2,1-b]oxepin-3-yl 6-methylocta-2,4-dienoate $$$$