{4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:194051)

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CHEBI:194051 - {4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid

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ChEBI ID	CHEBI:194051
ChEBI Name	{4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid
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Submitter	mwilliams
Downloads	Molfile

Formula	C27H34O19S
Net Charge	0
Average Mass	694.617
Monoisotopic Mass	694.14150
SMILES	[H]/C(C(=O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)C(C(O)C2OCC(O)C(O)C2O)C1=O)=C(/[H])c1ccc(OS(=O)(=O)O)cc1
InChI	InChI=1S/C27H34O19S/c28-7-13-17(32)20(35)22(37)26(45-13)27(40)24(38)14(11(29)6-3-9-1-4-10(5-2-9)46-47(41,42)43)18(33)15(25(27)39)19(34)23-21(36)16(31)12(30)8-44-23/h1-6,12-13,15-17,19-23,25-26,28,30-32,34-40H,7-8H2,(H,41,42,43)/b6-3+
InChIKey	GPIKPRCHBDWSMS-ZZXKWVIFSA-N

ChEBI Ontology

Outgoing Relation(s)
	{4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:194051) is a C-glycosyl compound (CHEBI:20857)