Structure via PubChem · Public domain (PubChem)
valoneic acid dilactone
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Chemical data
- Formula
- C21H10O13
- Molecular weight
- 470.3 g/mol
- IUPAC name
- 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoic acid
- SMILES
- C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)OC5=C(C(=C(C=C5C(=O)O)O)O)O
- InChIKey
- BPAOAXAAABIQKR-UHFFFAOYSA-N
- XLogP
- 1.4
- Polar surface area
- 221 Ų
- H-bond donors
- 7
- H-bond acceptors
- 13
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 470.01214038
Show 3 more facts
- canonical SMILES
- Oc1cc5c(=O)oc3c(O)c(Oc4c(C(=O)O)cc(O)c(O)c4O)cc2c3c5c(c1O)oc2=O
- chemical formula
- C₂₁H₁₀O₁₃
- found in taxon
- Oenothera biennis
Sources (2)
via Wikidata · CC0