CHEBI:218158 - Tanzawaic acid J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tanzawaic acid J
ChEBI ID CHEBI:218158
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26O4
Net Charge 0
Average Mass 306.402
Monoisotopic Mass 306.18311
InChI InChI=1S/C18H26O4/c1-11-8-12(2)17-14(9-11)15(19)10-13(3)18(17,22)7-5-4-6-16(20)21/h4-7,10-12,14-15,17,19,22H,8-9H2,1-3H3,(H,20,21)/b6-4+,7-5+/t11-,12+,14+,15-,17-,18+/m0/s1
InChIKey UIZBWUKMTZMEGS-GCCUXVDJSA-N
SMILES O=C(O)/C=C/C=C/[C@@]1(O)C(=C[C@H](O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
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 J (CHEBI:218158) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E)-5-[(1S,4R,4aS,6S,8R,8aS)-1,4-dihydroxy-2,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]penta-2,4-dienoic acid
Manual Xref Database
78443521 ChemSpider
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