[(3,4,5-trihydroxy-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-2-yl)methoxy]sulfonic acid (CHEBI:194043)

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CHEBI:194043 - [(3,4,5-trihydroxy-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-2-yl)methoxy]sulfonic acid

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ChEBI ID	CHEBI:194043
ChEBI Name	[(3,4,5-trihydroxy-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-2-yl)methoxy]sulfonic 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(COS(=O)(=O)O)C(O)C(O)C2O)C(O)=C(C(O)C2OCC(O)C(O)C2O)C1=O
InChI	InChI=1S/C27H34O19S/c28-10-4-1-9(2-5-10)3-6-11(29)14-18(33)15(19(34)23-21(36)16(31)12(30)7-44-23)25(39)27(40,24(14)38)26-22(37)20(35)17(32)13(46-26)8-45-47(41,42)43/h1-2,4-5,12-13,16-17,19-23,26,28,30-32,34-40H,3,6-8H2,(H,41,42,43)
InChIKey	RGSXZTXJLHZVRW-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3,4,5-trihydroxy-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-2-yl)methoxy]sulfonic acid (CHEBI:194043) is a C-glycosyl compound (CHEBI:20857)