6JM

2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one

Created:	2016-04-15
Last modified:	2016-08-17

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1 entries where 6JM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of 6JM

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Chemical Component Summary
Name	2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(oxidanyl)phenyl]-3,6-bis(oxidanyl)chromen-4-one
Formula	C₁₅ H₁₀ O₆
Molecular Weight	286.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(O)c(O)ccc1C=3Oc2ccc(O)cc2C(C=3O)=O
SMILES	CACTVS	3.385	Oc1ccc2OC(=C(O)C(=O)c2c1)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc2OC(=C(O)C(=O)c2c1)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O
InChI	InChI	1.03	InChI=1S/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H
InChIKey	InChI	1.03	BXPBSBBFPNTFFT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	667581
ChEMBL	CHEMBL1224325

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