Mrv0541 07241416162D 68 71 0 0 1 0 999 V2000 30.8088 -37.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6517 -37.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6593 -39.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8149 -39.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9720 -39.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9645 -37.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4935 -39.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1364 -39.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8229 -41.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1032 -37.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5006 -41.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8106 -35.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6557 -31.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8074 -31.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8071 -33.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9588 -33.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1108 -33.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1111 -31.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9593 -31.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2629 -31.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9586 -35.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2723 -33.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9597 -29.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5628 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6932 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 -33.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8238 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1048 -31.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0208 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1512 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0208 -33.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2818 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4786 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6093 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7397 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9368 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7397 -29.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0672 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1977 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3282 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5252 -31.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3282 -29.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5234 -33.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9529 -31.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 -29.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -29.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6491 -29.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -31.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8012 -31.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -31.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 -27.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 -33.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4872 -29.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2332 -29.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9565 -27.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9576 -25.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1144 -25.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 -23.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9501 -23.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -23.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8015 -25.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2714 -23.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6286 -23.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 -21.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6633 -25.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 -21.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 1 0 0 0 5 8 1 1 0 0 0 4 9 1 6 0 0 0 6 10 1 6 0 0 0 7 11 1 0 0 0 0 1 12 1 1 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 17 22 1 6 0 0 0 19 23 1 6 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 13 1 0 0 0 0 43 45 2 0 0 0 0 46 30 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 50 52 1 1 0 0 0 48 53 1 1 0 0 0 51 54 1 6 0 0 0 49 55 1 6 0 0 0 27 56 2 0 0 0 0 53 57 1 0 0 0 0 21 12 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 58 63 1 0 0 0 0 60 64 1 1 0 0 0 62 65 1 1 0 0 0 61 66 1 6 0 0 0 63 67 1 6 0 0 0 64 68 1 0 0 0 0 58 57 1 1 0 0 0 M END > CHEBI:79068 > crocin-1 > A diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. > 3 > CHEBI:3919 > trans-crocetin bis(beta-D-gentiobiosyl) ester; Saffron; Natural yellow 6; Natural yellow 19; Natural red 1; crocine; crocetin digentiobioside; crocetin di-gentiobiose ester; crocetin di-beta-D-gentiobiose ester; C.I. 75100; bis(beta-D-gentiobiosyl) crocetin; alpha-crocin > bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > C44H64O24 > 976.96460 > 976.37875 > 0 > C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1 > SEBIKDIMAPSUBY-RTJKDTQDSA-N > 42553-65-1 > 78445 > 39465-00-4 > C08589 > C00003769 > CPD-8666 > Crocin > 14514073; 17704979; 21398065; 24132704; 24275090; 24401376; 24659065; 24697694; 24839356 $$$$