CDK 1029232201 20 20 0 0 0 0 0 0 0 0999 V2000 1.4289 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 -0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7964 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -0.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6302 -1.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 -1.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 6 0 0 0 4 7 1 0 0 0 0 8 5 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 1 0 0 0 11 8 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 12 14 1 0 0 0 0 M END > CHEBI:202512 > Aspinolide C > 2 > [(2R,3S,4Z,7S)-7-hydroxy-2-methyl-6,10-dioxo-3,7,8,9-tetrahydro-2H-oxecin-3-yl] (E)-but-2-enoate > C14H18O6 > 282.292 > 282.11034 > 0 > O=C1C=C[C@H](OC(=O)/C=C/C)[C@H](OC(CC[C@@H]1O)=O)C > InChI=1S/C14H18O6/c1-3-4-13(17)20-12-7-5-10(15)11(16)6-8-14(18)19-9(12)2/h3-5,7,9,11-12,16H,6,8H2,1-2H3/b4-3+,7-5-/t9-,11+,12+/m1/s1 > GKYMOCGFYKKSSG-YSPKNVJVSA-N $$$$