HWB

cyanidin

Created:	2018-12-29
Last modified:	2019-12-25

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1 entries where HWB is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	17

2D diagram of HWB

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Chemical Component Summary
Name	cyanidin
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol
Formula	C₁₅ H₁₁ O₆
Molecular Weight	287.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
InChIKey	InChI	1.03	VEVZSMAEJFVWIL-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
Pharos	CHEMBL404515
PubChem	128861
ChEMBL	CHEMBL404515
ChEBI	CHEBI:27843
CCDC/CSD	PHFAVB

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.