Tanzawaic acid O (CHEBI:201306)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201306 - Tanzawaic acid O

Take structure to advanced search

ChEBI ID	CHEBI:201306
ChEBI Name	Tanzawaic acid O
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O4
Net Charge	0
Average Mass	306.402
Monoisotopic Mass	306.18311
SMILES	C[C@@H]1C[C@](O)(CO)C[C@@H]2C=C[C@H](C)[C@H](/C=C/C=C/C(=O)O)[C@@H]12
InChI	InChI=1S/C18H26O4/c1-12-7-8-14-10-18(22,11-19)9-13(2)17(14)15(12)5-3-4-6-16(20)21/h3-8,12-15,17,19,22H,9-11H2,1-2H3,(H,20,21)/b5-3+,6-4+/t12-,13+,14-,15-,17-,18+/m0/s1
InChIKey	DKQRVRCWGGSXND-QZFMOAAOSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (26055397)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tanzawaic acid O (CHEBI:201306) is a medium-chain fatty acid (CHEBI:59554)

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

Manual Xrefs	Databases
35517051	ChemSpider