Tanzawaic acid B (CHEBI:198373)

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CHEBI:198373 - Tanzawaic acid B

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ChEBI ID	CHEBI:198373
ChEBI Name	Tanzawaic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O2
Net Charge	0
Average Mass	274.404
Monoisotopic Mass	274.19328
SMILES	C[C@H]1C[C@@H](C)[C@@H]2[C@@H](/C=C/C=C/C(=O)O)[C@@H](C)C=C[C@H]2C1
InChI	InChI=1S/C18H26O2/c1-12-10-14(3)18-15(11-12)9-8-13(2)16(18)6-4-5-7-17(19)20/h4-9,12-16,18H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13-,14+,15-,16-,18-/m0/s1
InChIKey	DUGGXGNWQZWAAS-RAJPTAFASA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1246/cl.1997.885)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid B (CHEBI:198373) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
58132534	ChemSpider