Untitled Document-3 Mrv0541 02231220162D 87 90 0 0 0 0 999 V2000 -1.3065 9.6910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0461 10.0566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7325 9.5990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6794 8.7757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9398 8.4101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2534 8.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 7.3132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4607 7.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1471 7.2212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0939 6.3979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3544 6.0323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3320 6.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 4.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4383 4.8434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1247 5.3010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8643 4.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9175 4.1121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2310 3.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4497 2.5576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7102 2.9232 0.0000 C 0 0 2 0 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0 0 0 0 0 0 0 0 0 -0.1583 -8.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -8.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -9.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -9.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.8773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -3.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -4.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -5.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -5.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -6.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -7.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -8.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -8.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -8.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -8.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -9.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -9.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -10.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -10.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -10.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.5918 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 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 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 13 1 0 0 0 0 19 20 1 0 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 24 1 0 0 0 0 24 19 1 0 0 0 0 9 25 1 1 0 0 0 5 25 1 1 0 0 0 1 26 1 1 0 0 0 2 27 1 1 0 0 0 3 28 1 1 0 0 0 8 29 1 1 0 0 0 7 30 1 1 0 0 0 13 31 1 6 0 0 0 14 32 1 6 0 0 0 15 33 1 6 0 0 0 17 34 1 6 0 0 0 19 35 1 1 0 0 0 21 36 1 1 0 0 0 23 37 1 1 0 0 0 4 38 1 6 0 0 0 10 39 1 6 0 0 0 11 32 1 6 0 0 0 16 40 1 1 0 0 0 20 34 1 6 0 0 0 22 41 1 6 0 0 0 26 42 1 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 35 45 1 0 0 0 0 38 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 2 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 50 67 1 6 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 77 76 2 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 1 0 0 0 0 83 82 1 0 0 0 0 84 83 1 0 0 0 0 85 84 1 0 0 0 0 68 86 2 0 0 0 0 51 87 1 1 0 0 0 76 75 1 0 0 0 0 49 37 1 0 0 0 0 M END > BMDB0004959 > bmdb > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C62H112N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h18-19,30,32,40-45,47-62,65-68,70,72-79H,4-17,20-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b19-18-,32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1 > RAYORSFMGOKRRF-GVCCHFOSSA-N > C62H112N2O23 > 1253.5523 > 1252.7655879 > 23 > 141.00184678913388 > 0 > 15 > 0 > 0 > (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide > 3.79 > 4.021193040666667 > -4.49 > 1 > 4 > 0 > 12.012306191841752 > 11.59444544730604 > -3.6340433457355097 > 395.03 > 316.8488 > 44 > 0 > 4.06e-02 g/l > (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide > 0 > BMDB0004959 > Tetrahexosylceramide (d18:1/9Z-18:1) > GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer; Ganglioside Gb4; Ganglioside GL 4; Gb4; iGb4Cer; N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; N-Acetyl-delta-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; N-Acetyl-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; Parvovirus B19 receptor $$$$