Tanzawaic acid Y (CHEBI:217953)

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CHEBI:217953 - Tanzawaic acid Y

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ChEBI ID	CHEBI:217953
ChEBI Name	Tanzawaic acid Y
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](O)[C@@H]2C=C[C@H](C)[C@H](/C=C/C=C/C(=O)O)[C@H]21
InChI	InChI=1S/C18H26O3/c1-11-8-9-15-17(12(2)10-13(3)18(15)21)14(11)6-4-5-7-16(19)20/h4-9,11-15,17-18,21H,10H2,1-3H3,(H,19,20)/b6-4+,7-5+/t11-,12+,13-,14-,15+,17+,18+/m0/s1
InChIKey	XLNIPINDDBQTRT-QXMAGNANSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (29778575)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid Y (CHEBI:217953) is a medium-chain fatty acid (CHEBI:59554)

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