Fradic acid B (CHEBI:200328)

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CHEBI:200328 - Fradic acid B

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ChEBI ID	CHEBI:200328
ChEBI Name	Fradic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H18O5
Net Charge	0
Average Mass	266.293
Monoisotopic Mass	266.11542
SMILES	CC(=O)/C=C/C=C/C=C/[C@@H]1O[C@@](C)(C(=O)O)O[C@H]1C
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

Species of Metabolite	Component	Source	Comments
Streptomyces fradiae (ncbitaxon:1906)	-	PubMed (23203266)

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
78436606	ChemSpider