Concept information
Preferred term
کلتوتریکامید A
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C36H58N2O11
inchi
- InChI=1S/C36H58N2O11/c1-7-20(2)29-35(46)48-27(21(3)13-11-12-14-22(4)47-36-32(43)31(42)30(41)28(19-39)49-36)18-26(40)23(5)33(44)37-25(34(45)38(29)6)17-24-15-9-8-10-16-24/h8-10,15-16,20-23,25-32,36,39-43H,7,11-14,17-19H2,1-6H3,(H,37,44)/t20-,21-,22+,23+,25+,26+,27-,28+,29-,30+,31-,32-,36+/m0/s1
inchikey
- NMRGQXSASQQYOZ-QUTCSXMQSA-N
mass
- 694.863
monoisotopicmass
- 694.40406
smiles
- O=C1O[C@H]([C@H](CCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)C)C[C@@H](O)[C@H](C(=O)N[C@@H](C(N([C@H]1[C@H](CC)C)C)=O)CC3=CC=CC=C3)C
subset
- 2_STAR
synonym EXACT
- (3S,6R,9R,10R,12S)-6-benzyl-3-[(2S)-butan-2-yl]-10-hydroxy-4,9-dimethyl-12-[(2S,7R)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-1-oxa-4,7-diazacyclododecane-2,5,8-trione
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:225993
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