53481404 CDK 1202211635 63 63 0 0 0 0 0 0 0 0999 V2000 4.5080 -6.3939 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -3.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -3.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -5.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -5.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -5.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -6.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 -7.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 -5.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -2.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -5.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -4.7439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9370 -4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -3.9188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9370 -3.9188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7935 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -2.2688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3659 -1.4438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6515 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 5.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 5.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 7.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 -4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 -3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 -5.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 -5.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 7.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 -6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 -7.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 -7.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 18 3 1 1 0 0 0 3 20 1 0 0 0 0 4 14 1 0 0 0 0 15 5 1 1 0 0 0 6 16 1 0 0 0 0 7 19 1 0 0 0 0 22 8 1 1 0 0 0 12 24 2 0 0 0 0 21 13 1 1 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 36 2 0 0 0 0 24 25 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 43 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 44 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 60 1 0 0 0 0 53 58 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEBI:184402 > (17Z)-N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enimidic acid > 2 > [(2R,5S,6R)-2-[(E,2S,3R)-2-[[(Z)-hexacos-17-enoyl]amino]-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate > C50H95NO11S > 918.370 > 917.66258 > 0 > S(OC1[C@@H](O)[C@H](O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C1O)CO)(O)(=O)=O > InChI=1S/C50H95NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)42-60-50-48(56)49(62-63(57,58)59)47(55)45(41-52)61-50/h17-18,37,39,43-45,47-50,52-53,55-56H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)(H,57,58,59)/b18-17-,39-37+/t43-,44+,45+,47-,48?,49?,50+/m0/s1 > PUKCSTQGOYUVRY-NJAKTLKSSA-N > C06125 > GALACTOSYLCERAMIDE-SULFATE $$$$