Tanzawaic acid N (CHEBI:210902)

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CHEBI:210902 - Tanzawaic acid N

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ChEBI ID	CHEBI:210902
ChEBI Name	Tanzawaic acid N
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28O4
Net Charge	0
Average Mass	332.440
Monoisotopic Mass	332.19876
SMILES	CC(=O)OC[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/C20H28O4/c1-13-8-9-17-11-16(12-24-15(3)21)10-14(2)20(17)18(13)6-4-5-7-19(22)23/h4-9,13-14,16-18,20H,10-12H2,1-3H3,(H,22,23)/b6-4+,7-5+/t13-,14+,16-,17-,18-,20-/m0/s1
InChIKey	FNGOIISIZQTTTM-WFJHGLDVSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (26055397)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid N (CHEBI:210902) is a medium-chain fatty acid (CHEBI:59554)

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

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35517050	ChemSpider