[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate (CHEBI:143755)

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CHEBI:143755 - [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate

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ChEBI ID	CHEBI:143755
ChEBI Name	[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C21H36O6
Net Charge	0
Average Mass	384.513
Monoisotopic Mass	384.25119
SMILES	CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
InChI	InChI=1S/C21H36O6/c1-5-6-7-8-17(25)27-15-11-14(12-22)21(26,13-23)20(4)16(24)9-10-19(2,3)18(15)20/h11,15-16,18,22-24,26H,5-10,12-13H2,1-4H3
InChIKey	PBKUOHTZGOWWBK-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate (CHEBI:143755) is a fatty acid ester (CHEBI:35748)