CDK 1030232201 35 38 0 0 0 0 0 0 0 0999 V2000 7.0239 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 1.6585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0660 2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 2.4430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6181 3.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 3.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6648 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3631 4.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 3.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 3.3683 0.0000 O 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 3.7439 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 3.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 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 2.1435 2.4751 0.0000 O 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 C 0 0 0 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 2.1435 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 2.8579 -1.2375 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 3.5724 -1.6500 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 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 4 6 1 6 0 0 0 7 4 1 0 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 12 7 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 6 0 0 0 12 15 1 1 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 7 9 1 0 0 0 0 17 18 1 0 0 0 0 22 24 1 0 0 0 0 27 28 2 0 0 0 0 M END > CHEBI:214264 > Saccharothrixone I > 2 > methyl (1R)-1-[(1R,2S,6R)-1,2-dihydroxy-3,6-dimethoxy-5-oxocyclohex-3-en-1-yl]-4-hydroxy-7-methoxy-5-methyl-3-oxo-1H-benzo[][2]benzouran-6-carboxylate > C24H24O11 > 488.445 > 488.13186 > 0 > O=C1C=C(OC)[C@@H](O)[C@@]([C@H]1OC)(O)[C@@H]2OC(=O)C=3C2=CC4=CC(OC)=C(C(=C4C3O)C)C(=O)OC > InChI=1S/C24H24O11/c1-9-15-10(7-13(31-2)16(9)22(28)34-5)6-11-17(18(15)26)23(29)35-20(11)24(30)19(27)14(32-3)8-12(25)21(24)33-4/h6-8,19-21,26-27,30H,1-5H3/t19-,20-,21+,24-/m1/s1 > SZSCFLOURQLDGJ-IUBSTNSRSA-N $$$$