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(Q27161277)
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English
Urolithin A-3-O-glucuronide
chemical compound
Urolithin A-O-glucuronide
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Urolithin A-3-O-glucuronide
1 reference
based on heuristic
inferred from InChIKey
mass
404.07434671199985
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₆O₁₀
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C1=CC=2C=3C=CC(=CC3OC(C2C=C1O)=O)OC4C(C(C(C(C(=O)O)O4)O)O)O
1 reference
stated in
ChEBI
ChEBI ID
89099
language of work or name
English
title
Urolithin A-3-O-glucuronide
(English)
retrieved
9 October 2016
isomeric SMILES
O=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1
0 references
InChIKey
KXBXNRJGUDTJQS-KSPMYQCISA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
102579638
1 reference
matched by identifier from
InChIKey
InChIKey
KXBXNRJGUDTJQS-KSPMYQCISA-N
ChEBI ID
89099
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
89099
language of work or name
English
title
Urolithin A-3-O-glucuronide
(English)
retrieved
9 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1
UniChem compound ID
96790723
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0029222
reason for deprecated rank
cannot be confirmed by other sources
0 references
HMDB0240566
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXBXNRJGUDTJQS-KSPMYQCISA-N
KNApSAcK ID
C00062091
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXBXNRJGUDTJQS-KSPMYQCISA-N
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