[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6Z)-1-hydroxy-6-(2-hydroxy-2-methylpropylidene)-2,2,4,4-tetramethyl-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CHEBI:181714)

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CHEBI:181714 - [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6Z)-1-hydroxy-6-(2-hydroxy-2-methylpropylidene)-2,2,4,4-tetramethyl-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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ChEBI ID	CHEBI:181714
ChEBI Name	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6Z)-1-hydroxy-6-(2-hydroxy-2-methylpropylidene)-2,2,4,4-tetramethyl-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H36O14
Net Charge	0
Average Mass	584.571
Monoisotopic Mass	584.21051
SMILES	CC(C)(O)/C=C1/C(=O)C(C)(C)C(=O)C(C)(C)C1(O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C27H36O14/c1-24(2,37)9-12-20(34)25(3,4)23(36)26(5,6)27(12,38)41-22-19(33)18(32)17(31)15(40-22)10-39-21(35)11-7-13(28)16(30)14(29)8-11/h7-9,15,17-19,22,28-33,37-38H,10H2,1-6H3/b12-9-/t15-,17-,18+,19-,22+,27?/m1/s1
InChIKey	XYLREKXEZFHHSV-VSIUDGCKSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6Z)-1-hydroxy-6-(2-hydroxy-2-methylpropylidene)-2,2,4,4-tetramethyl-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CHEBI:181714) is a gallate ester (CHEBI:37576)

IUPAC Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6Z)-1-hydroxy-6-(2-hydroxy-2-methylpropylidene)-2,2,4,4-tetramethyl-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Manual Xrefs	Databases
22913560	ChemSpider