Amestolkolide A (CHEBI:215319)

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CHEBI:215319 - Amestolkolide A

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ChEBI ID	CHEBI:215319
ChEBI Name	Amestolkolide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H24O7
Net Charge	0
Average Mass	412.438
Monoisotopic Mass	412.15220
SMILES	C[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4C5C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@H]23
InChI	InChI=1S/C23H24O7/c1-9-18-16-15-12(7-22(4)17(16)19(27-9)29-20(22)25)23(8-26-23)11-6-14(24)30-21(2,3)10(11)5-13(15)28-18/h5-6,9,12-13,15,17,19H,7-8H2,1-4H3/t9-,12-,13+,15?,17-,19-,22-,23+/m1/s1
InChIKey	WCTLLUQPCVNPKU-MUGZIZBGSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces (ncbitaxon:5094)	-	PubMed (29197643)

ChEBI Ontology

Outgoing Relation(s)
	Amestolkolide A (CHEBI:215319) is a furopyran (CHEBI:74927)

IUPAC Name
(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione

Manual Xrefs	Databases
78442169	ChemSpider