6-(2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190877)

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CHEBI:190877 - 6-(2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:190877
ChEBI Name	6-(2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H40O14
Net Charge	0
Average Mass	732.735
Monoisotopic Mass	732.24181
SMILES	CC(C)=CCc1c(O)ccc2cc(-c3cc(O)c(C4C=C(C)CC(c5ccc(O)cc5O)C4C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)c(O)c3)oc12
InChI	InChI=1S/C39H40O14/c1-16(2)4-7-22-25(41)9-5-18-14-29(51-35(18)22)19-12-27(43)31(28(44)13-19)24-11-17(3)10-23(21-8-6-20(40)15-26(21)42)30(24)38(50)53-39-34(47)32(45)33(46)36(52-39)37(48)49/h4-6,8-9,11-15,23-24,30,32-34,36,39-47H,7,10H2,1-3H3,(H,48,49)
InChIKey	SWJCPYJMYWJAIU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)	root (BTO:0001188)	MetaboLights (MTBLS4362)

ChEBI Ontology

Outgoing Relation(s)
	6-(2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190877) is a benzofurans (CHEBI:35259)

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

Manual Xrefs	Databases
HMDB0126174	HMDB