Marvin 08231215412D 59 65 0 0 0 0 999 V2000 2.7442 -1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -1.8896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1360 -1.4811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1321 -0.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 -1.8712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5300 -1.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8538 -2.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5562 -3.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 -3.0898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4620 -2.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -3.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -4.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -5.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -3.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2576 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 -1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5446 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1082 -1.5151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1137 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 -0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0287 -1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 0.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -2.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -2.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -3.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -4.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 -5.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -4.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0257 -3.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 -3.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 -4.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 -3.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -3.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 -4.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 -5.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -2.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -3.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 -5.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 -6.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -4.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 -5.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 -5.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 -5.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -5.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 -0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42 13 1 0 0 0 0 18 29 1 0 0 0 0 13 37 1 0 0 0 0 15 30 1 0 0 0 0 36 14 1 0 0 0 0 22 31 2 0 0 0 0 2 3 1 0 0 0 0 28 32 1 0 0 0 0 3 4 1 6 0 0 0 21 33 1 1 0 0 0 15 16 2 0 0 0 0 21 34 1 0 0 0 0 3 5 1 0 0 0 0 34 35 1 0 0 0 0 35 14 1 0 0 0 0 36 37 2 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 5 6 1 1 0 0 0 19 18 2 0 0 0 0 18 15 1 0 0 0 0 5 7 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 42 43 2 0 0 0 0 7 8 1 1 0 0 0 19 20 1 0 0 0 0 7 9 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 9 10 1 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 23 22 1 0 0 0 0 14 48 1 6 0 0 0 22 19 1 0 0 0 0 40 49 1 0 0 0 0 9 11 1 1 0 0 0 39 50 1 0 0 0 0 11 12 1 0 0 0 0 50 51 2 0 0 0 0 23 24 2 0 0 0 0 50 52 1 0 0 0 0 2 10 1 0 0 0 0 38 53 1 0 0 0 0 24 25 1 0 0 0 0 13 54 2 0 0 0 0 47 55 1 0 0 0 0 25 26 2 0 0 0 0 46 56 1 0 0 0 0 26 1 1 0 0 0 0 2 1 1 6 0 0 0 26 27 1 0 0 0 0 43 14 1 0 0 0 0 27 57 1 0 0 0 0 27 28 2 0 0 0 0 57 58 1 0 0 0 0 28 23 1 0 0 0 0 57 59 2 0 0 0 0 M END > CHEBI:65371 > adxanthromycin A > An organic peroxide, which is the 3-α-D-galactopyranosyl substituted derivative of the dimer obtained by oxidation at the 10-hydroxy position of (10S)-3,8,10-trihydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydroanthracene-2-carboxylic acid. It is isolated from the fermentation broth of Streptomyces. > 3 > (10S)-10-{[(9S)-3-carboxy-2,5-dihydroxy-4,6,9-trimethyl-10-oxo-9,10-dihydroanthracen-9-yl]peroxy}-3-(alpha-D-galactopyranosyloxy)-8-hydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydroanthracene-2-carboxylic acid > C42H40O17 > 816.75680 > 816.22655 > 0 > Cc1ccc2c(C(=O)c3c(C)c(C(O)=O)c(O)cc3[C@]2(C)OO[C@]2(C)c3ccc(C)c(O)c3C(=O)c3c(C)c(C(O)=O)c(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc23)c1O > InChI=1S/C42H40O17/c1-14-7-9-18-29(31(14)45)34(48)25-16(3)27(38(52)53)22(44)11-20(25)41(18,5)58-59-42(6)19-10-8-15(2)32(46)30(19)35(49)26-17(4)28(39(54)55)23(12-21(26)42)56-40-37(51)36(50)33(47)24(13-43)57-40/h7-12,24,33,36-37,40,43-47,50-51H,13H2,1-6H3,(H,52,53)(H,54,55)/t24-,33+,36+,37-,40+,41-,42-/m1/s1 > JQXRWMLDLWYXKW-KWEXCAGTSA-N > 10344578 $$$$