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 Name [4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] hexanoate
ChEBI ID CHEBI:143755
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C21H36O6
Net Charge 0
Average Mass 384.508
Monoisotopic Mass 384.251
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
SMILES O=C(OC1C=C(C(O)(CO)C2(C1C(CCC2O)(C)C)C)CO)CCCCC
Metabolite of Species Details
Bathymodiolus (NCBI:txid12965) Found in gill filament {BTO:0002150 See: MetaboLights Study
ChEBI Ontology
Outgoing [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)