Concept information
Preferred term
(2r,3r,4r)-2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3r,4r,5r,6r)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C23H36O21
inchi
- InChI=1S/C23H36O21/c24-1-4-8(27)16(14(33)22(39-4)41-6-3-38-20(37)12(31)7(6)26)43-23-15(34)17(9(28)5(2-25)40-23)42-21-13(32)10(29)11(30)18(44-21)19(35)36/h4-10,12-17,20-34,37H,1-3H2,(H,35,36)/t4-,5-,6-,7+,8+,9+,10+,12-,13-,14-,15-,16+,17+,20-,21-,22+,23+/m1/s1
inchikey
- GPQSITGBIAOOCN-CXPNZRDFSA-N
mass
- 648.520
monoisotopicmass
- 648.17491
smiles
- O([C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC2)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]4OC(=C(O)[C@H](O)[C@H]4O)C(O)=O)[C@H]3O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,4,3/[a212h-1b_1-5][a2112h-1b_1-5][a21EEA-1a_1-5]/1-2-2-3/a4-b1_b3-c1_c3-d1
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148082
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