Mrv1652309122217372D 24 27 0 0 1 0 999 V2000 3.9934 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3509 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 1.0799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4561 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 2.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1701 2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4997 1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 6 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 20 22 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 12 1 1 0 0 0 16 24 1 0 0 0 0 M END > NP0330359 > NP-MRD > CC(O)C1=C2C[C@H]3OC(=O)[C@@]4(C)CCC(O)[C@@](C)([C@@H]34)C2=CC(=O)O1 > InChI=1S/C18H22O6/c1-8(19)14-9-6-11-15-17(2,16(22)23-11)5-4-12(20)18(15,3)10(9)7-13(21)24-14/h7-8,11-12,15,19-20H,4-6H2,1-3H3/t8?,11-,12?,15+,17+,18+/m1/s1 > JQEZXXRPUSQBOK-LMSLJVMLSA-N > C18H22O6 > 334.368 > 334.141638428 > 4 > 46 > 34.12941035128772 > 1 > 2 > 0 > 1 > (1S,9R,12S,16R)-15-hydroxy-6-(1-hydroxyethyl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-2,6-diene-4,11-dione > 0.43304506 > 0 > 4 > 0 > 14.752567705268408 > 14.037816108806854 > -2.9644750141533374 > 93.06000000000002 > 85.16970000000002 > 1 > 1 > (1S,9R,12S,16R)-15-hydroxy-6-(1-hydroxyethyl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-2,6-diene-4,11-dione > 0 > NP0330359 > (1s,9r,12s,16r)-15-hydroxy-6-(1-hydroxyethyl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione $$$$