CDK 1029232200 30 34 0 0 0 0 0 0 0 0999 V2000 4.2870 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 2 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 2.1370 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4396 0.0413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -0.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1238 0.9930 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 1.4290 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 0.1660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3638 -0.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 0.4125 0.0000 O 0 0 0 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 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 O 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 1 0 0 0 0 6 13 2 0 0 0 0 8 14 1 6 0 0 0 8 15 1 0 0 0 0 16 8 1 0 0 0 0 9 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 16 22 1 6 0 0 0 23 16 1 0 0 0 0 20 24 1 6 0 0 0 21 25 1 0 0 0 0 21 26 1 1 0 0 0 23 27 1 1 0 0 0 24 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 9 7 1 6 0 0 0 9 12 1 0 0 0 0 13 18 1 0 0 0 0 17 20 1 0 0 0 0 23 25 1 0 0 0 0 M END > CHEBI:201908 > 2a,8a-epoxy-epi-deacetylgriseusin B > 2 > 2-[(1R,3'R,4'S,6'R,10S,11S,13S)-3',4',7-trihydroxy-6'-methyl-2,9-dioxospiro[12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-11,2'-oxane]-13-yl]acetic acid > C20H20O10 > 420.370 > 420.10565 > 0 > O=C1C2=C(O)C=CC=C2C(=O)[C@@]34[C@@]1(O3)[C@]5(O[C@H](CC(=O)O)C4)O[C@@H](C[C@@H]([C@H]5O)O)C > InChI=1S/C20H20O10/c1-8-5-12(22)16(26)20(28-8)19-17(27)14-10(3-2-4-11(14)21)15(25)18(19,30-19)7-9(29-20)6-13(23)24/h2-4,8-9,12,16,21-22,26H,5-7H2,1H3,(H,23,24)/t8-,9-,12+,16-,18+,19-,20+/m1/s1 > ZRTFDOHHKNWDGO-UAJALOPQSA-N $$$$