Ketcher 04061712592D 1 1.00000 0.00000 0 46 49 0 1 0 999 V2000 9.6678 -20.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6678 -21.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5327 -21.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3974 -21.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3974 -20.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5327 -19.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2665 -19.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8026 -19.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5302 -18.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8037 -21.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5302 -22.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 -23.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -22.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 -23.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9247 -24.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -24.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 -24.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7849 -25.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0687 -22.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5301 -24.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0525 -24.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6528 -22.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2612 -18.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0668 -21.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1302 -18.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9983 -18.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1310 -17.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9913 -19.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8582 -20.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7237 -19.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7205 -18.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8578 -18.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1257 -20.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5929 -20.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8524 -17.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2018 -21.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 -21.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -20.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 -21.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6033 -21.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6004 -22.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -23.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 -22.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -20.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 -23.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -23.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 11 1 6 0 0 4 5 1 0 0 0 12 11 1 0 0 0 12 13 1 0 0 0 5 6 1 0 0 0 12 17 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 5 7 1 1 0 0 16 18 1 1 0 0 14 19 1 1 0 0 1 2 1 0 0 0 17 20 1 6 0 0 15 21 1 6 0 0 1 6 1 0 0 0 2 3 1 0 0 0 1 8 1 1 0 0 6 9 1 6 0 0 3 4 1 0 0 0 2 10 1 6 0 0 12 22 1 1 0 0 7 23 1 0 0 0 19 24 1 0 0 0 25 27 2 0 0 0 26 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 26 1 0 0 0 28 33 1 0 0 0 30 34 1 0 0 0 23 25 1 0 0 0 32 35 1 0 0 0 25 26 1 0 0 0 24 36 1 0 0 0 36 37 1 0 0 0 36 38 2 0 0 0 37 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 37 1 0 0 0 39 44 1 0 0 0 43 45 1 0 0 0 41 46 1 0 0 0 M END > CHEBI:65512 > brartemicin > A glycosyl glycoside derivative that consists of α,α-trehalose substituted at positions 6 and 6' by O-2,4-dihydroxy-6-methylbenzoyl groups. It is isolated from the culture broth of actinomycete, Nonomuraea, and has antitumor activity. > 3 > 6-O-(2,4-dihydroxy-6-methylbenzoyl)-alpha-D-glucopyranosyl 6-O-(2,4-dihydroxy-6-methylbenzoyl)-alpha-D-glucopyranoside > C28H34O17 > 642.560 > 642.17960 > 0 > [C@H]1([C@H]([C@@H](O[C@]2(O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)COC(C3=C(C=C(C=C3O)O)C)=O)[H])O[C@@H]([C@H]1O)COC(=O)C4=C(C=C(C=C4O)O)C)O)O > InChI=1S/C28H34O17/c1-9-3-11(29)5-13(31)17(9)25(39)41-7-15-19(33)21(35)23(37)27(43-15)45-28-24(38)22(36)20(34)16(44-28)8-42-26(40)18-10(2)4-12(30)6-14(18)32/h3-6,15-16,19-24,27-38H,7-8H2,1-2H3/t15-,16-,19-,20-,21+,22+,23-,24-,27-,28-/m1/s1 > UZVUYEBJQAEAGM-SHSJKSAASA-N > 19718339 > 19358565 $$$$