Tanzawaic acid H (CHEBI:201197)

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CHEBI:201197 - Tanzawaic acid H

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ChEBI ID	CHEBI:201197
ChEBI Name	Tanzawaic acid H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O4
Net Charge	0
Average Mass	306.402
Monoisotopic Mass	306.18311
SMILES	CC1=C[C@H](O)[C@H]2C[C@@H](CO)C[C@@H](C)[C@@H]2[C@H]1/C=C/C=C/C(=O)O
InChI	InChI=1S/C18H26O4/c1-11-8-16(20)15-9-13(10-19)7-12(2)18(15)14(11)5-3-4-6-17(21)22/h3-6,8,12-16,18-20H,7,9-10H2,1-2H3,(H,21,22)/b5-3+,6-4+/t12-,13+,14+,15-,16+,18-/m1/s1
InChIKey	KUVSXNIEVWRYCQ-PIOYMUNPSA-N

Species of Metabolite	Component	Source	Comments
Penicillium citrinum (ncbitaxon:5077)	-	PubMed (23713692)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid H (CHEBI:201197) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
30829586	ChemSpider