[3,4,5-trihydroxy-6-[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CHEBI:143759)

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CHEBI:143759 - [3,4,5-trihydroxy-6-[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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ChEBI ID	CHEBI:143759
ChEBI Name	[3,4,5-trihydroxy-6-[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
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Submitter	mwilliams
Downloads	Molfile

Formula	C26H36O11
Net Charge	0
Average Mass	524.563
Monoisotopic Mass	524.22576
SMILES	CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O
InChI	InChI=1S/C26H36O11/c1-12-7-15(27)10-26(3,4)16(12)6-5-13(2)36-25-23(33)22(32)21(31)19(37-25)11-35-24(34)14-8-17(28)20(30)18(29)9-14/h7-9,13,16,19,21-23,25,28-33H,5-6,10-11H2,1-4H3
InChIKey	CBGLETFGTARBGG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bathymodiolus (ncbitaxon:12965)	gill filament (BTO:0002150)	MetaboLights (MTBLS746)

ChEBI Ontology

Outgoing Relation(s)
	[3,4,5-trihydroxy-6-[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate (CHEBI:143759) is a O-acyl carbohydrate (CHEBI:52782)