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(Q76285973)
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Tuberonic acid glucoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
1 reference
based on heuristic
inferred from SMILES
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
1 reference
based on heuristic
inferred from SMILES
mass
388.173332476
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(1R,2S)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
1 reference
based on heuristic
inferred from InChI
2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₈O₉
0 references
canonical SMILES
O=C(O)CC1CCC(=O)C1CC=CCCOC2OC(CO)C(O)C(O)C2O
0 references
isomeric SMILES
C1CC(=O)[C@@H]([C@H]1CC(=O)O)C/C=C\CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
found in taxon
Phyllanthus emblica
1 reference
stated in
Two new acylated flavanone glycosides from the leaves and branches of Phyllanthus emblica
potato
1 reference
stated in
Tuberonic (12-OH-jasmonic) acid glucoside and its methyl ester in potato
Breynia fruticosa
1 reference
stated in
Glycosides from Breynia fruticosa and Breynia rostrata
Breynia rostrata
1 reference
stated in
Glycosides from Breynia fruticosa and Breynia rostrata
Breynia vitis-idaea
1 reference
stated in
Two new glycosides from Breynia vitis-idaea
Euphorbia maculata
1 reference
stated in
Supinaionosides A and B: megastigmane glucosides and supinanitrilosides A-F: hydroxynitrile glucosides from the whole plants of Euphorbia supina RAFINESQUE
Euphorbia supina
1 reference
stated in
Supinaionosides A and B: megastigmane glucosides and supinanitrilosides A-F: hydroxynitrile glucosides from the whole plants of Euphorbia supina RAFINESQUE
Collinsonia japonica
1 reference
stated in
Hyaluronidase inhibitors from Keiskea japonica
Origanum dictamnus
1 reference
stated in
Depsides and other polar constituents from Origanum dictamnus L. and their in vitro antimicrobial activity in clinical strains.
Origanum vulgare
1 reference
stated in
Polar Constituents from the Aerial Parts ofOriganum vulgareL. Ssp.hirtumGrowing Wild in Greece
Perilla frutescens
1 reference
stated in
Two Jasmonoid Glucosides and a Phenylvaleric Acid Glucoside fromPerilla frutescens
Identifiers
InChI
InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1
0 references
InChIKey
JFDNMLUPLXZXGV-RKAGECJXSA-N
0 references
CAS Registry Number
120399-24-8
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=120399-24-8
InChIKey
JFDNMLUPLXZXGV-RKAGECJXSA-N
PubChem CID
5281204
1 reference
matched by identifier from
InChIKey
InChIKey
JFDNMLUPLXZXGV-RKAGECJXSA-N
UniChem compound ID
1068615
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50415084
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
JFDNMLUPLXZXGV-RKAGECJXSA-N
DSSTOX compound identifier
DTXCID10365935
0 references
Human Metabolome Database ID
HMDB0301837
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JFDNMLUPLXZXGV-RKAGECJXSA-N
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