CHEBI:213181 - Tanzawaic acid V

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ChEBI Name Tanzawaic acid V
ChEBI ID CHEBI:213181
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H26O4
Net Charge 0
Average Mass 306.402
Monoisotopic Mass 306.18311
InChI InChI=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
InChIKey WLEJNMDXTCOJFJ-RMWQOVRUSA-N
SMILES O=C(O)C=CC=C[C@]1(O)[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@](O)(C)C[C@H]2C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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