Mrv1652309062212562D 37 36 0 0 0 0 999 V2000 -9.8921 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8921 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6065 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4631 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4631 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1776 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8921 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6065 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8921 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7487 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0342 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3197 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6052 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6052 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8908 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1763 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 2.4750 0.0000 O 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 0.8250 0.0000 0.0000 O 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 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 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 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 10 12 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 30 32 2 0 0 0 0 27 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 35 37 2 0 0 0 0 M END > NP0230475 > NP-MRD > CC(=O)OC\C(CC(=O)C\C(C)=C\CC\C(C)=C\CC\C(=C/OC(C)=O)\C=C\OC(C)=O)=C\OC(C)=O > InChI=1S/C28H38O9/c1-20(10-8-12-26(17-35-23(4)30)13-14-34-22(3)29)9-7-11-21(2)15-28(33)16-27(18-36-24(5)31)19-37-25(6)32/h10-11,13-14,17-18H,7-9,12,15-16,19H2,1-6H3/b14-13+,20-10+,21-11+,26-17+,27-18+ > IEFNIZWXCAWYDG-XMZIZEBRSA-N > C28H38O9 > 518.603 > 518.251582804 > 5 > 75 > 55.7770834629722 > 0 > 0 > 0 > 0 > (1E,3E,6E,10E,15E)-16-(acetyloxy)-15-[(acetyloxy)methyl]-3-[(acetyloxy)methylidene]-7,11-dimethyl-13-oxohexadeca-1,6,10,15-tetraen-1-yl acetate > 2.856840360333334 > 0 > 0 > 0 > 13.266088833426718 > -6.446229004113283 > 122.27000000000001 > 139.8669 > 20 > 0 > (1E,3E,6E,10E,15E)-16-(acetyloxy)-15-[(acetyloxy)methyl]-3-[(acetyloxy)methylidene]-7,11-dimethyl-13-oxohexadeca-1,6,10,15-tetraen-1-yl acetate > 0 > NP0230475 > (1e,3e,6e,10e,15e)-16-(acetyloxy)-15-[(acetyloxy)methyl]-3-[(acetyloxy)methylidene]-7,11-dimethyl-13-oxohexadeca-1,6,10,15-tetraen-1-yl acetate $$$$