Ketcher 05192009322D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 10.5138 -6.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5138 -7.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3831 -8.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3831 -6.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2475 -6.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2432 -7.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1083 -8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1168 -6.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9821 -6.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 -7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8337 -8.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6982 -7.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7121 -6.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8517 -6.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1086 -5.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0984 -9.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8436 -5.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5684 -6.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4334 -6.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5635 -5.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5583 -8.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3843 -5.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3735 -9.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6436 -8.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6498 -6.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 -5.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8014 -4.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9270 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 -6.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7804 -6.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8045 -3.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0629 -4.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 -6.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6689 -3.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 -7.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 17 1 0 0 0 9 8 1 0 0 0 13 18 1 0 0 0 8 5 1 0 0 0 18 19 1 0 0 0 5 4 2 0 0 0 18 20 2 0 0 0 4 1 1 0 0 0 12 21 1 0 0 0 4 22 1 0 0 0 1 2 2 0 0 0 3 23 1 0 0 0 2 3 1 0 0 0 2 24 1 0 0 0 3 6 2 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 25 1 0 0 0 14 9 1 0 0 0 27 31 1 1 0 0 5 6 1 0 0 0 28 32 1 6 0 0 8 15 2 0 0 0 29 33 1 1 0 0 25 1 1 1 0 0 6 7 1 0 0 0 7 16 2 0 0 0 31 34 1 0 0 0 7 10 1 0 0 0 30 35 1 6 0 0 M END > CHEBI:78310 > carminic acid > A tetrahydroxyanthraquinone that is that is 1,3,4,6-tetrahydroxy-9,10-anthraquinone substituted by a methyl group at position 8, a carboxy group at position 7 and a 1,5-anhydro-D-glucitol moiety at position 2 via a C-glycosidic linkage. It is a natural dye isolated from several insects such as Dactylopius coccus. > 3 > CHEBI:3422 > Sun Red No. 1; Sun Red 1; Sanred 1; Natural red 4; Cochineal tincture; Cochineal extract; Cochineal; Coccus cacti extract; Coccinellin; Carmine red; Carmine; C.I. Natural Red 4; C.I. 75470 > (1S)-1,5-anhydro-1-(7-carboxy-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)-D-glucitol > C22H20O13 > 492.389 > 492.09039 > 0 > C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C)C(C2=C(O)C1O)=O)=O)O)[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO > InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1 > DGQLVPJVXFOQEV-JNVSTXMASA-N > 1260-17-9 > 1414932 > 1260-17-9 > C11254 > Carminic_acid > 24415463; 24731378; 24733592; 29551461; 32319483 $$$$