Concept information
Preferred term
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C22H40O12
inchi
- InChI=1S/C22H40O12/c1-11(2)7-5-3-4-6-8-14(24)31-10-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(9-23)32-21/h11-13,15-23,25-30H,3-10H2,1-2H3/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22+/m1/s1
inchikey
- QEGXBXBKQLQOHP-HSZKHKTISA-N
mass
- 496.550
monoisotopicmass
- 496.25198
smiles
- O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC(C)C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
subset
- 2_STAR
synonym EXACT
- [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:182925
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