Marvin 02081316422D 59 59 0 0 1 0 999 V2000 15.9981 -12.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8678 -11.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7177 -12.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7177 -13.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8403 -14.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9982 -13.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5462 -14.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5459 -11.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8404 -15.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2825 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4363 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5866 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7407 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8946 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0449 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1989 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3489 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5029 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6570 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8031 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9611 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1073 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2613 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4153 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5655 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7195 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8695 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0235 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1777 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3276 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4816 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6320 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7858 -11.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4363 -10.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6320 -13.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0235 -13.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4153 -13.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0449 -10.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6570 -10.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1319 -11.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2825 -13.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1568 -14.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5419 -10.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 -9.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 -10.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0864 -9.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 -10.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0865 -12.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9347 -11.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 -9.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6313 -10.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 -12.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6314 -11.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3899 -8.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 -9.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -10.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -12.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3283 -11.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7911 -13.5737 0.0000 C 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 4 7 1 6 0 0 0 3 8 1 1 0 0 0 5 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 11 34 1 0 0 0 0 32 35 1 0 0 0 0 28 36 1 0 0 0 0 24 37 1 0 0 0 0 15 38 1 0 0 0 0 19 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 2 0 0 0 0 1 40 1 1 0 0 0 6 42 1 6 0 0 0 8 43 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 49 48 1 0 0 0 0 50 47 1 0 0 0 0 51 50 1 0 0 0 0 52 49 1 0 0 0 0 53 52 1 0 0 0 0 44 54 2 0 0 0 0 55 51 1 0 0 0 0 56 55 1 0 0 0 0 57 53 1 0 0 0 0 58 56 1 0 0 0 0 58 57 1 0 0 0 0 52 59 1 0 0 0 0 M END > CHEBI:71690 > staphyloxanthin > A xanthophyll that is β-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bacterium Staphylococcus aureus its name. > 3 > staphyloxanthin; beta-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate); 8'-apo-psi,psi-carotenoic acid, 6-O-(12-methyl-1-oxotetradecyl)-alpha-D-glucopyranosyl ester > 1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-beta-D-glucopyranose > C51H78O8 > 819.16020 > 818.56967 > 0 > CCC(C)CCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(=O)C(\C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1 > PDOUICUKTQRPHO-MENSNCDRSA-N > 71869-01-7 > 22781667 > 71869-01-7 > C16148 > CPD-9916 > Staphyloxanthin > 16009720; 16020541; 16861688; 18276850; 19456099; 22223336; 22535955; 22965624; 7275936 $$$$