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CHEBI:213181 - Tanzawaic acid V

ChEBI IDCHEBI:213181
ChEBI NameTanzawaic acid V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O4
Net Charge0
Average Mass306.402
Monoisotopic Mass306.18311
SMILESC[C@@H]1C[C@@](C)(O)C[C@@H]2C=C[C@H](C)[C@](O)(C=CC=CC(=O)O)[C@@H]12
InChIInChI=1S/C18H26O4/c1-12-10-17(3,21)11-14-8-7-13(2)18(22,16(12)14)9-5-4-6-15(19)20/h4-9,12-14,16,21-22H,10-11H2,1-3H3,(H,19,20)/t12-,13+,14+,16+,17-,18-/m1/s1
InChIKeyWLEJNMDXTCOJFJ-RMWQOVRUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29329204)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tanzawaic acid V (CHEBI:213181) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-[(1R,2S,4aR,6R,8R,8aS)-1,6-dihydroxy-2,6,8-trimethyl-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]penta-2,4-dienoic acid