Tanzawaic acid C (CHEBI:222705)

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CHEBI:222705 - Tanzawaic acid C

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ChEBI ID	CHEBI:222705
ChEBI Name	Tanzawaic acid C
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@H](C)[C@]2(O)/C=C/C=C/C(=O)O)C1
InChI	InChI=1S/C18H26O3/c1-12-10-13(2)17-15(11-12)8-7-14(3)18(17,21)9-5-4-6-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)/b6-4+,9-5+/t12-,13+,14-,15-,17-,18+/m0/s1
InChIKey	VNXMOWMLDLTMSQ-BKELEDOOSA-N

Species of Metabolite	Component	Source	Comments
Penicillium citrinum (ncbitaxon:5077)	-	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 C (CHEBI:222705) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
78437706	ChemSpider