Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H47NO20
inchi
- InChI=1S/C26H47NO20/c1-7-14(34)18(38)20(40)25(43-7)47-23-13(27-8(2)31)24(42-6-10(33)16(36)15(35)9(32)3-28)45-12(5-30)22(23)46-26-21(41)19(39)17(37)11(4-29)44-26/h7,9-26,28-30,32-41H,3-6H2,1-2H3,(H,27,31)/t7-,9?,10?,11+,12+,13+,14+,15?,16?,17-,18+,19-,20-,21+,22+,23+,24+,25-,26-/m0/s1
inchikey
- CWAKXSOYQQDVJM-IWBCYZJYSA-N
mass
- 693.649
monoisotopicmass
- 693.26914
smiles
- O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H](OCC(O)C(O)C(O)C(O)CO)[C@@H]1NC(=O)C)CO)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,4,3/[hxxxxh][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4/a6-b1_b3-c1_b4-d1
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147700
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