Fradic acid B (CHEBI:200328)

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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	Fradic acid B

ChEBI ID	CHEBI:200328

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O5

Net Charge

Average Mass

266.293

Monoisotopic Mass

266.11542

InChI

InChI=1S/C14H18O5/c1-10(15)8-6-4-5-7-9-12-11(2)18-14(3,19-12)13(16)17/h4-9,11-12H,1-3H3,(H,16,17)/b5-4+,8-6+,9-7+/t11-,12-,14-/m0/s1

InChIKey

ACSULZLYEQGSAE-HMVSRFOSSA-N

SMILES

O=C(O)[C@@]1(O[C@@H](/C=C/C=C/C=C/C(=O)C)[C@@H](O1)C)C

Metabolite of Species	Details
Streptomyces fradiae (NCBI:txid1906)	See: PubMed

ChEBI Ontology
Outgoing	Fradic acid B (CHEBI:200328) is a ketal (CHEBI:59777)

IUPAC Name

(2S,4S,5S)-2,4-dimethyl-5-[(1E,3E,5E)-7-oxoocta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid