Sagittariol (CHEBI:170117)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Sagittariol

ChEBI ID	CHEBI:170117

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H34O2

Net Charge

Average Mass

306.490

Monoisotopic Mass

306.25588

InChI

InChI=1S/C20H34O2/c1-6-18(3,22)12-13-19(4)15(2)10-11-20(5)16(14-21)8-7-9-17(19)20/h6,8,15,17,21-22H,1,7,9-14H2,2-5H3

InChIKey

VAQFTHFEFSWPGQ-UHFFFAOYSA-N

SMILES

OCC=1C2(C(C(C(CC2)C)(CCC(O)(C)C=C)C)CCC1)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study

ChEBI Ontology
Outgoing	Sagittariol (CHEBI:170117) is a diterpenoid (CHEBI:23849)

IUPAC Name

5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol