2E,4Z-tanzawaic acid D (CHEBI:198581)

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CHEBI:198581 - 2E,4Z-tanzawaic acid D

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ChEBI ID	CHEBI:198581
ChEBI Name	2E,4Z-tanzawaic acid D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H22O3
Net Charge	0
Average Mass	286.371
Monoisotopic Mass	286.15689
SMILES	Cc1ccc2c(c1/C=C\C=C\C(=O)O)[C@H](C)C[C@@](C)(O)C2
InChI	InChI=1S/C18H22O3/c1-12-8-9-14-11-18(3,21)10-13(2)17(14)15(12)6-4-5-7-16(19)20/h4-9,13,21H,10-11H2,1-3H3,(H,19,20)/b6-4-,7-5+/t13-,18-/m1/s1
InChIKey	WGCSETPVPVTTSA-RYWNCQKMSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (25453820)

ChEBI Ontology

Outgoing Relation(s)
	2E,4Z-tanzawaic acid D (CHEBI:198581) is a tetralins (CHEBI:36786)

IUPAC Name
(2E,4Z)-5-[(6R,8R)-6-hydroxy-2,6,8-trimethyl-7,8-dihydro-5H-naphthalen-1-yl]penta-2,4-dienoic acid

Manual Xrefs	Databases
34981986	ChemSpider