[3,5-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-4-yl]oxidanesulfonic acid (CHEBI:194049)

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CHEBI:194049 - [3,5-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-4-yl]oxidanesulfonic acid

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ChEBI ID	CHEBI:194049
ChEBI Name	[3,5-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-4-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(O)C(OS(=O)(=O)O)C2O)C(O)=C(C(O)C2OCC(O)C(O)C2O)C1=O
InChI	InChI=1S/C27H34O19S/c28-7-13-17(33)23(46-47(41,42)43)21(37)26(45-13)27(40)24(38)14(11(30)6-3-9-1-4-10(29)5-2-9)18(34)15(25(27)39)19(35)22-20(36)16(32)12(31)8-44-22/h1-2,4-5,12-13,16-17,19-23,26,28-29,31-33,35-40H,3,6-8H2,(H,41,42,43)
InChIKey	HUKVMWDFKKDOAG-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	[3,5-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-4-yl]oxidanesulfonic acid (CHEBI:194049) is a C-glycosyl compound (CHEBI:20857)