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(Q82241648)
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ZINC05234420
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
1 reference
based on heuristic
inferred from SMILES
mass
314.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈O₈
0 references
canonical SMILES
O=C(OC)C=1C=CC=CC1OC2OC(CO)C(O)C(O)C2O
0 references
isomeric SMILES
COC(=O)C1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
found in taxon
Pinalia yunnanensis
1 reference
stated in
A new dilactone from the seeds of Gaultheria yunnanensis
Gaultheria leucocarpa var. yunnanensis
1 reference
stated in
A new dilactone from the seeds of Gaultheria yunnanensis
Mallotus metcalfianus
1 reference
stated in
Polyphenols isolated from antiradical extracts of Mallotus metcalfianus.
Pluchea indica
1 reference
stated in
Terpenic glycosides from Pluchea indica
Verbena brasiliensis
1 reference
stated in
New iridoid glucosides from the aerial parts of Verbena brasiliensis
Identifiers
InChI
InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1
0 references
InChIKey
ONKIQNFPVXNOBV-YGEZULPYSA-N
0 references
CAS Registry Number
10019-60-0
1 reference
InChIKey
ONKIQNFPVXNOBV-YGEZULPYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10019-60-0
PubChem CID
7573798
1 reference
matched by identifier from
InChIKey
InChIKey
ONKIQNFPVXNOBV-YGEZULPYSA-N
ChEBI ID
168882
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1
UniChem compound ID
1868324
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70428813
1 reference
matched by identifier from
InChIKey
InChIKey
ONKIQNFPVXNOBV-YGEZULPYSA-N
DSSTOX compound identifier
DTXCID00379647
0 references
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