[4,5-dihydroxy-2-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-3-yl]oxidanesulfonic acid (CHEBI:194048)

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CHEBI:194048 - [4,5-dihydroxy-2-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-3-yl]oxidanesulfonic acid

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ChEBI ID	CHEBI:194048
ChEBI Name	[4,5-dihydroxy-2-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-3-yl]oxidanesulfonic acid
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C27H34O19S
Net Charge	0
Average Mass	694.617
Monoisotopic Mass	694.14150
SMILES	O=C(CCc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(OS(=O)(=O)O)C(O)C2O)C(O)=C(C(O)C2OCC(O)C(O)C2O)C1=O
InChI	InChI=1S/C27H34O19S/c28-7-13-22(46-47(41,42)43)20(36)21(37)26(45-13)27(40)24(38)14(11(30)6-3-9-1-4-10(29)5-2-9)17(33)15(25(27)39)18(34)23-19(35)16(32)12(31)8-44-23/h1-2,4-5,12-13,16,18-23,26,28-29,31-32,34-40H,3,6-8H2,(H,41,42,43)
InChIKey	NQIHNVCOMBJCET-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	[4,5-dihydroxy-2-(hydroxymethyl)-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-5-[3-(4-hydroxyphenyl)propanoyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-3-yl]oxidanesulfonic acid (CHEBI:194048) is a C-glycosyl compound (CHEBI:20857)