Tanzawaic acid E (CHEBI:199383)

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CHEBI:199383 - Tanzawaic acid E

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ChEBI ID	CHEBI:199383
ChEBI Name	Tanzawaic acid E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O3
Net Charge	0
Average Mass	290.403
Monoisotopic Mass	290.18819
SMILES	C[C@@H]1C=C[C@@H]2C[C@@](C)(O)C[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C18H26O3/c1-12-8-9-14-11-18(3,21)10-13(2)17(14)15(12)6-4-5-7-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13+,14-,15-,17-,18+/m1/s1
InChIKey	GGRDDTWLVPZMAU-KWMARLCDSA-N

Species of Metabolite	Component	Source	Comments
Penicillium steckii (ncbitaxon:303698)	-	DOI (10.1016/s0031-9422(00)00106-0)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid E (CHEBI:199383) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
78440042	ChemSpider