{[8-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid (CHEBI:168495)

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CHEBI:168495 - {[8-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid

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ChEBI ID	CHEBI:168495
ChEBI Name	{[8-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H32O10S
Net Charge	0
Average Mass	584.643
Monoisotopic Mass	584.17162
SMILES	CC(C)=CCC/C(C)=C\Cc1c(-c2ccc(O)cc2O)oc2cc3c(c(O)c2c1=O)C=CC(C)(COS(=O)(=O)O)O3
InChI	InChI=1S/C30H32O10S/c1-17(2)6-5-7-18(3)8-10-22-28(34)26-25(39-29(22)20-11-9-19(31)14-23(20)32)15-24-21(27(26)33)12-13-30(4,40-24)16-38-41(35,36)37/h6,8-9,11-15,31-33H,5,7,10,16H2,1-4H3,(H,35,36,37)/b18-8-
InChIKey	JOZPPGBBHYTSMX-LSCVHKIXSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	{[8-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid (CHEBI:168495) is a flavones (CHEBI:24043)

IUPAC Name
[8-(2,4-dihydroxyphenyl)-7-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate