Marvin 11231218042D 59 59 0 0 0 0 999 V2000 4.9787 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4076 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.8979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2654 -12.3104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9800 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -11.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 -14.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -12.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -11.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4090 -11.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4090 -11.0729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1234 -10.6604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8379 -11.0729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8379 -11.8979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1234 -12.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -10.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -9.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5524 -10.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5524 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2669 -11.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9785 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5496 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4062 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 -15.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5951 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0241 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7386 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4531 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1676 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8821 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5966 -14.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 7 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 6 0 0 0 9 10 1 0 0 0 0 3 13 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 12 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 10 22 1 0 0 0 0 17 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 28 1 0 0 0 0 25 30 1 6 0 0 0 26 31 1 1 0 0 0 27 32 1 6 0 0 0 28 33 1 1 0 0 0 24 22 1 1 0 0 0 33 34 1 0 0 0 0 21 35 1 0 0 0 0 35 36 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 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 21 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > CHEBI:71140 > N-(2-hydroxyhexacosanoyl)-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine > An N-acyl-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 26 carbons and 0 double bonds and is 2-hydroxylated. > 3 > 1-O-beta-D-glucosyl-N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine > C49H95NO9 > 842.27990 > 841.70068 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCC(C)C > InChI=1S/C49H95NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-30-27-25-22-23-26-29-32-35-40(2)3/h33,36,40-47,49,51-56H,4-32,34-35,37-39H2,1-3H3,(H,50,57)/b36-33+/t41-,42+,43?,44+,45+,46-,47+,49+/m0/s1 > FIWWQKHPXWCNEV-YBWUOHGMSA-N $$$$