Tanzawaic acid K (CHEBI:199486)

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CHEBI:199486 - Tanzawaic acid K

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ChEBI ID	CHEBI:199486
ChEBI Name	Tanzawaic acid K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O3
Net Charge	0
Average Mass	290.403
Monoisotopic Mass	290.18819
SMILES	C[C@H]1C[C@@H](C)[C@@H]2[C@@H](/C=C/C=C/C(=O)O)[C@](C)(O)C=C[C@H]2C1
InChI	InChI=1S/C18H26O3/c1-12-10-13(2)17-14(11-12)8-9-18(3,21)15(17)6-4-5-7-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13+,14-,15+,17-,18+/m0/s1
InChIKey	XMRIILJKLXWFGU-FXQUFQRASA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (24605144)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid K (CHEBI:199486) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E)-5-[(1R,2R,4aR,6S,8R,8aS)-2-hydroxy-2,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]penta-2,4-dienoic acid

Manual Xrefs	Databases
78443498	ChemSpider