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English
sanguisorbic acid dilactone
chemical compound
3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}oxy)benzoic acid
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
Sanguisorbic acid dilactone.svg
780 × 490; 24 KB
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mass
470.01214038
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₀O₁₃
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canonical SMILES
O=C(O)C1=CC(O)=C(O)C(OC=2C(O)=C(O)C=3OC(=O)C=4C=C(O)C(O)=C5OC(=O)C2C3C54)=C1
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found in taxon
Rosa henryi
1 reference
stated in
Tannins and Related Polyphenols of Rosaceous Medicinal Plants. XII. Roshenins A-E, Dimeric Hydrolyzable Tannins from Rosa henryi Boul.
Sanguisorba officinalis
1 reference
stated in
Tannins and related compounds. Part 3. A new phenolic acid, sanguisorbic acid dilactone, and three new ellagitannins, sanguiins H-1, H-2, and H-3, from Sanguisorba officinalis
Identifiers
InChI
InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29)
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InChIKey
DBLLWHYTKRSJEV-UHFFFAOYSA-N
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CAS Registry Number
82203-11-0
1 reference
stated in
SciFinder
PubChem CID
15934028
1 reference
matched by identifier from
InChIKey
InChIKey
DBLLWHYTKRSJEV-UHFFFAOYSA-N
UniChem compound ID
32006407
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0029274
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DBLLWHYTKRSJEV-UHFFFAOYSA-N
KNApSAcK ID
C00057573
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DBLLWHYTKRSJEV-UHFFFAOYSA-N
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