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(Q59571113)
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English
glucoibarin
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
479.095359128
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₉NO₁₀S₃
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCCCC[S+]([O-])C
0 references
isomeric SMILES
O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1SC(CCCCCCCS(C)=O)=NOS(O)(=O)=O)O)O)O)CO
0 references
Identifiers
InChI
InChI=1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)/t10-,12-,13+,14-,15+,28?/m1/s1
0 references
InChIKey
LQZALQLZOQQFGM-MMLSCURJSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
124079390
0 references
ChEBI ID
132553
mapping relation type
exact match
0 references
UniChem compound ID
149584508
1 reference
stated in
UniChem
KNApSAcK ID
C00007352
0 references
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