P5M

2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium

Created:	2014-10-15
Last modified:	2020-06-05

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1 entries where P5M is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	17

2D diagram of P5M

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Chemical Component Summary
Name	2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium
Synonyms	Petunidin
Systematic Name (OpenEye OEToolkits)	2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol
Formula	C₁₆ H₁₃ O₇
Molecular Weight	317.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
SMILES	CACTVS	3.385	COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O
SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O
Canonical SMILES	CACTVS	3.385	COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O
InChI	InChI	1.03	InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1
InChIKey	InChI	1.03	AFOLOMGWVXKIQL-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	441774
ChEMBL	CHEMBL1275624
ChEBI	CHEBI:75318

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