Feedback

CID 91854755

PropertiesImageOccurences in reactions
MNX_IDMNXM1112726Image of MNXM1112726
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC98H163N7O71
charge0
mass2573.93594
referencechebi:146696
InChIKeyPPWUKORZBLMOFC-YLFXSNSTSA-N
InChIInChI=1S/C98H163N7O71/c1-24-53(128)66(141)70(145)89(156-24)153-21-37(127)74(54(129)32(11-106)99-25(2)116)166-86-50(103-29(6)120)63(138)77(43(19-114)161-86)169-92-73(148)82(171-94-84(69(144)59(134)40(16-111)160-94)173-88-52(105-31(8)122)65(140)76(44(20-115)163-88)168-91-72(147)81(61(136)41(17-112)158-91)176-98(96(151)152)10-34(124)48(101-27(4)118)80(175-98)56(131)36(126)13-108)78(170-85-49(102-28(5)119)62(137)57(132)38(14-109)157-85)46(165-92)22-154-93-83(68(143)58(133)39(15-110)159-93)172-87-51(104-30(7)121)64(139)75(42(18-113)162-87)167-90-71(146)67(142)60(135)45(164-90)23-155-97(95(149)150)9-33(123)47(100-26(3)117)79(174-97)55(130)35(125)12-107/h24,32-94,106-115,123-148H,9-23H2,1-8H3,(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,149,150)(H,151,152)/t24-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73-,74+,75+,76+,77+,78+,79+,80+,81-,82+,83-,84-,85-,86-,87-,88-,89+,90-,91-,92-,93-,94+,97+,98-/m0/s1
SMILESCC(=O)N[C@@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:146696
chebi:146696
CID 91854755
WURCS=2.0/7,13,12/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-4-2-5-6-7/a4-b1_a6-m1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f3-g2_i2-j1_j4-k1_k6-l2