Tanzawaic acid W (CHEBI:213186)

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CHEBI:213186 - Tanzawaic acid W

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ChEBI ID	CHEBI:213186
ChEBI Name	Tanzawaic acid W
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O4
Net Charge	0
Average Mass	306.402
Monoisotopic Mass	306.18311
SMILES	C[C@H]1C[C@@H](C)[C@H]2[C@@H](C=C[C@@](C)(O)[C@]2(O)C=CC=CC(=O)O)C1
InChI	InChI=1S/C18H26O4/c1-12-10-13(2)16-14(11-12)7-9-17(3,21)18(16,22)8-5-4-6-15(19)20/h4-9,12-14,16,21-22H,10-11H2,1-3H3,(H,19,20)/t12-,13+,14-,16-,17+,18-/m0/s1
InChIKey	QFABOEVEKNNDEB-LAEBKXJHSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (29329204)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid W (CHEBI:213186) is a medium-chain fatty acid (CHEBI:59554)

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