Tanzawaic acid F (CHEBI:199033)

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CHEBI:199033 - Tanzawaic acid F

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ChEBI ID	CHEBI:199033
ChEBI Name	Tanzawaic acid F
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Submitter	MetaboLights
Downloads	Molfile

Formula	C18H24O4
Net Charge	0
Average Mass	304.386
Monoisotopic Mass	304.16746
SMILES	C[C@@H]1CC(C(=O)O)C[C@@H]2C=C[C@H](C)[C@H](/C=C/C=C/C(=O)O)[C@@H]12
InChI	InChI=1S/C18H24O4/c1-11-7-8-13-10-14(18(21)22)9-12(2)17(13)15(11)5-3-4-6-16(19)20/h3-8,11-15,17H,9-10H2,1-2H3,(H,19,20)(H,21,22)/b5-3+,6-4+/t11-,12+,13-,14?,15-,17-/m0/s1
InChIKey	CTZUNMXSKIMIEE-GNUZFWQPSA-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 F (CHEBI:199033) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(4R,4aS,5S,6S,8aR)-5-[(1E,3E)-4-carboxybuta-1,3-dienyl]-4,6-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-2-carboxylic acid

Manual Xrefs	Databases
10478268	ChemSpider