Pilatin (CHEBI:226060)

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CHEBI:226060 - Pilatin

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ChEBI ID	CHEBI:226060
ChEBI Name	Pilatin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H26O7
Net Charge	0
Average Mass	390.432
Monoisotopic Mass	390.16785
SMILES	CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@H]2[C@]1(O)C=C(C=O)[C@]13C[C@]21C(=O)O[C@@H]3O
InChI	InChI=1S/C21H26O7/c1-4-5-6-7-14(23)27-15-18(2,3)9-13-20-11-19(20,16(24)28-17(20)25)12(10-22)8-21(13,15)26/h6-8,10,13,15-16,24,26H,4-5,9,11H2,1-3H3/b7-6+/t13-,15-,16+,19+,20-,21-/m1/s1
InChIKey	FGNPPWFDUWSHQL-UPEPMZDMSA-N

Species of Metabolite	Component	Source	Comments
Flagelloscypha (ncbitaxon:269154)	-	PubMed (3209467)

ChEBI Ontology

Outgoing Relation(s)
	Pilatin (CHEBI:226060) is a δ-lactone (CHEBI:18946)

IUPAC Name
[(1S,2R,5R,6R,9R,10S)-8-ormyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate

Manual Xrefs	Databases
8176043	ChemSpider