Concept information
Preferred term
(2s,3s,4r,5r)-6-/{4-[2-(benzenesulfinyl)ethyl]-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl/}-3,4,5-trihydroxyoxane-2-carboxylic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C29H28N2O9S
inchi
- InChI=1S/C29H28N2O9S/c32-21-22(33)24(26(35)36)40-25(23(21)34)29(16-17-41(39)20-14-8-3-9-15-20)27(37)30(18-10-4-1-5-11-18)31(28(29)38)19-12-6-2-7-13-19/h1-15,21-25,32-34H,16-17H2,(H,35,36)/t21-,22-,23+,24-,25?,41?/m0/s1
inchikey
- QBDBTZXGXFECOD-LYPXWVFESA-N
mass
- 580.608
monoisotopicmass
- 580.152
smiles
- S(=O)(C1=CC=CC=C1)CCC2(C(=O)N(C3=CC=CC=C3)N(C2=O)C4=CC=CC=C4)C5O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]5O)O
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:143295
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