CDK 1030232202 20 23 0 0 0 0 0 0 0 0999 V2000 4.2868 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 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 3.5724 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 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 2.8579 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1855 -3.0270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0294 -3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -3.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 -2.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 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 3 6 1 0 0 0 0 4 7 1 1 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 13 6 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 6 0 0 0 11 17 2 0 0 0 0 13 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 8 7 1 1 0 0 0 8 13 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 M END > CHEBI:218570 > Arthrinone > 2 > (1R,9R,10S,13R)-4,9,13-trihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-trien-2-one > C13H12O7 > 280.232 > 280.05830 > 0 > O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@@]34[C@@]1(O3)[C@@H](OC4)O > InChI=1S/C13H12O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,9,11,14-15,17H,4H2,1H3/t9-,11-,12+,13+/m1/s1 > OACKXIAQYYDGIK-XEZLXBQYSA-N $$$$