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CHEBI:148925 - CID 91849743
| Formula | C99H166N6O72 |
| Net Charge | 0 |
| Average Mass | 2592.387 |
| Monoisotopic Mass | 2590.95125 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[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@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](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@]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]2O)[C@@H]1O |
| WURCS | WURCS=2.0/7,14,13/[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]/1-2-3-4-2-5-6-4-2-5-2-7-5-7/a4-b1_a6-n1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_i4-j1_j3-k1_k3-l1_k4-m1 |
| InChI | InChI=1S/C99H166N6O72/c1-23-50(125)63(138)69(144)90(155-23)152-20-34(124)75(52(127)31(10-106)100-25(3)116)167-86-46(102-27(5)118)60(135)78(40(17-113)161-86)170-95-74(149)83(174-97-85(68(143)56(131)37(14-110)160-97)176-88-48(104-29(7)120)61(136)76(39(16-112)163-88)168-93-72(147)66(141)57(132)44(166-93)22-154-99(98(150)151)9-32(122)45(101-26(4)117)80(177-99)53(128)33(123)11-107)59(134)43(165-95)21-153-96-84(67(142)55(130)36(13-109)159-96)175-87-47(103-28(6)119)62(137)77(41(18-114)162-87)169-94-73(148)82(58(133)38(15-111)158-94)173-89-49(105-30(8)121)81(172-91-70(145)64(139)51(126)24(2)156-91)79(42(19-115)164-89)171-92-71(146)65(140)54(129)35(12-108)157-92/h23-24,31-97,106-115,122-149H,9-22H2,1-8H3,(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,150,151)/t23-,24-,31-,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-,95-,96-,97+,99+/m0/s1 |
| InChIKey | UTZCNFNGTQFPCE-XEOMHDEYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91849743 (CHEBI:148925) is a polysaccharide (CHEBI:18154) |