InChI=1S/C61H112N2O21/c1- 4- 6- 8- 10- 12- 14- 16- 18- 19- 20- 21- 23- 25- 27- 29- 31- 33- 35- 48(71) 63- 42(43(68) 34- 32- 30- 28- 26- 24- 22- 17- 15- 13- 11- 9- 7- 5- 2) 40- 79- 58- 53(75) 52(74) 55(47(39- 66) 81- 58) 82- 59- 54(76) 57(51(73) 46(38- 65) 80- 59) 84- 61(60(77) 78) 36- 44(69) 49(62- 41(3) 67) 56(83- 61) 50(72) 45(70) 37- 64/h32,34,42- 47,49- 59,64- 66,68- 70,72- 76H,4- 31,33,35- 40H2,1- 3H3,(H,62,67) (H,63,71) (H,77,78) /b34- 32+/t42- ,43+,44- ,45+,46+,47+,49+,50+,51- ,52+,53?,54+,55+,56?,57- ,58+,59- ,61- /m0/s1 |
SIJZEDYROBAHFV-DSRQLKEMSA-N |
O1[C@] (O[C@@H] 2[C@@H] (O) [C@@H] (O[C@@H] ([C@@H] 2O) CO) O[C@H] 3[C@H] (O) C(O) [C@@H] (O[C@@H] 3CO) OC[C@H] (NC(=O) CCCCCCCCCCCCCCCCCCC) [C@H] (O) /C=C/CCCCCCCCCCCCC) (C[C@H] (O) [C@@H] (NC(=O) C) C1[C@H] (O) [C@H] (O) CO) C(O) =O |
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(2S,4S,5R)- 5- acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4R,6R)- 4,5- dihydroxy- 6- [(E,2S,3R)- 3- hydroxy- 2- (icosanoylamino)octadec- 4- enoxy]- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
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