12-hydroxyalbrabetaitriol (CHEBI:218427)

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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	12-hydroxyalbrabetaitriol

ChEBI ID	CHEBI:218427

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O4

Net Charge

Average Mass

270.369

Monoisotopic Mass

270.18311

InChI

InChI=1S/C15H26O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7,11-12,16-19H,4-6,8-9H2,1-3H3/t11-,12-,14-,15+/m0/s1

InChIKey

HUZKUSWQRONLOJ-NZBPQXDJSA-N

SMILES

O[C@@]1(C(=C[C@H](O)[C@@H]2[C@@]1(CCCC2(C)C)C)CO)CO

Metabolite of Species	Details
Penicilliumspecies (NCBI:txid5081)	See: PubMed

ChEBI Ontology
Outgoing	12-hydroxyalbrabetaitriol (CHEBI:218427) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(1S,4S,4aS,8aS)-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol