Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Peonidin	134-01-0	441773

Structure

Other Information

Canonical SMILES	COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O
Iso SMILES	COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O
InChI	InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1
InChI Key	XFDQJKDGGOEYPI-UHFFFAOYSA-O
Formula	C16H13O6+
Mol Weight	301.271
XlogP3	0
Charge	1

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Synonyms Information

CAS Name	2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium-3,5,7-triol
IUPAC Name	2-(4-hydroxy-3-methoxy-phenyl)chromenylium-3,5,7-triol
Openeye Name	2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol
Systematic Name	2-(3-methoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol
Tratitional Name	2-(3-methoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol