CDK 1029232202 27 32 0 0 0 0 0 0 0 0999 V2000 3.9362 -1.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -2.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 -3.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3928 -3.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0871 -3.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 -3.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2181 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 -4.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 -4.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 -4.2982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4817 -3.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7306 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9678 -5.1381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3268 -4.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 -5.0518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -5.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 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 2 4 1 0 0 0 0 3 5 2 0 0 0 0 6 3 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 9 5 1 0 0 0 0 5 10 1 0 0 0 0 11 6 1 0 0 0 0 6 12 1 1 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 15 9 1 0 0 0 0 9 16 1 1 0 0 0 10 17 1 0 0 0 0 18 11 1 0 0 0 0 11 19 1 1 0 0 0 12 20 1 0 0 0 0 21 14 1 0 0 0 0 15 22 1 6 0 0 0 23 15 1 0 0 0 0 18 24 1 1 0 0 0 21 25 1 1 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 8 9 1 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 18 20 1 0 0 0 0 21 23 1 0 0 0 0 23 22 1 6 0 0 0 M END > CHEBI:204359 > Epoxyvirone > 2 > (1R,5S,6S,9R,16R,17S,19R)-6-acetyl-16-hydroxy-1,5-dimethyl-13,18-dioxahexacyclo[10.7.1.02,10.05,9.015,20.017,19]icosa-2(10),12(20),14-trien-11-one > C22H24O5 > 368.429 > 368.16237 > 0 > O=C1C2=C([C@]3([C@H]4O[C@H]4[C@@H](C=5C3=C1OC5)O)C)CC[C@]6([C@H]2CC[C@@H]6C(=O)C)C > InChI=1S/C22H24O5/c1-9(23)11-4-5-12-14-13(6-7-21(11,12)2)22(3)15-10(8-26-18(15)17(14)25)16(24)19-20(22)27-19/h8,11-12,16,19-20,24H,4-7H2,1-3H3/t11-,12+,16-,19+,20+,21-,22-/m1/s1 > JQHSHPAZNWYGEU-FGWJHSTMSA-N $$$$