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(Q104396302)
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English
2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₁₀H₁₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
244.05830272400001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₂O₇
0 references
canonical SMILES
O=C(OCC(O)CO)C1=CC(O)=C(O)C(O)=C1
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found in taxon
Rheum officinale
1 reference
stated in
Tannins and related compounds. X. Rhubarb (2): Isolation and structures of a glycerol gallate, gallic acid glucoside gallates, galloylglucoses and isolindleyin.
Lotus japonicus
1 reference
stated in
Gallic acid esters of bergenin and norbergenin from Mallotus japonicus
Identifiers
InChI
InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2
0 references
InChIKey
PDEQYQCQYAQJPN-UHFFFAOYSA-N
0 references
CAS Registry Number
87087-60-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5317465
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PDEQYQCQYAQJPN-UHFFFAOYSA-N
ChEBI ID
168599
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2
UniChem compound ID
22983173
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901239764
1 reference
matched by identifier from
InChIKey
InChIKey
PDEQYQCQYAQJPN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0039177
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PDEQYQCQYAQJPN-UHFFFAOYSA-N
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