6-[6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185465)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185465 - 6-[6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Take structure to advanced search

ChEBI ID	CHEBI:185465
ChEBI Name	6-[6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H40O15
Net Charge	0
Average Mass	748.734
Monoisotopic Mass	748.23672
SMILES	CC1=CC(c2c(O)cc(-c3cc4ccc(O)c(CC5OC5(C)C)c4o3)cc2O)C(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(c2ccc(O)cc2O)C1
InChI	InChI=1S/C39H40O15/c1-15-8-20(19-6-5-18(40)13-24(19)42)29(37(50)53-38-33(47)31(45)32(46)35(52-38)36(48)49)22(9-15)30-25(43)10-17(11-26(30)44)27-12-16-4-7-23(41)21(34(16)51-27)14-28-39(2,3)54-28/h4-7,9-13,20,22,28-29,31-33,35,38,40-47H,8,14H2,1-3H3,(H,48,49)
InChIKey	UGZFRMOARXMGHU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)	spermatozoon (BTO:0001277)	MetaboLights (MTBLS1071)	Strain: Holstein [LBO:0000132]

ChEBI Ontology

Outgoing Relation(s)
	6-[6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185465) is a benzofurans (CHEBI:35259)

IUPAC Name
6-[6-(2,4-dihydroxyphenyl)-2-[4-[7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzouran-2-yl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-ene-1-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0126215	HMDB