Atranone Q (CHEBI:224453)

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CHEBI:224453 - Atranone Q

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ChEBI ID	CHEBI:224453
ChEBI Name	Atranone Q
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H34O5
Net Charge	0
Average Mass	390.520
Monoisotopic Mass	390.24062
SMILES	CC(=O)C[C@H]1/C=C(\C)[C@@H](O)C[C@H]2C(C(C)C)=CC(=O)O[C@]2(C)CC[C@@H](C)C1=O
InChI	InChI=1S/C23H34O5/c1-13(2)18-11-21(26)28-23(6)8-7-14(3)22(27)17(10-16(5)24)9-15(4)20(25)12-19(18)23/h9,11,13-14,17,19-20,25H,7-8,10,12H2,1-6H3/b15-9+/t14-,17-,19+,20+,23-/m1/s1
InChIKey	DBYUXSBRACONCI-MNSYTRPTSA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys chartarum (ncbitaxon:74722)	-	PubMed (31265296)

ChEBI Ontology

Outgoing Relation(s)
	Atranone Q (CHEBI:224453) is a pyranone (CHEBI:37963)

IUPAC Name
(1S,3S,4E,6S,8R,11R)-3-hydroxy-4,8,11-trimethyl-6-(2-oxopropyl)-15-propan-2-yl-12-oxabicyclo[9.4.0]pentadeca-4,14-diene-7,13-dione

Manual Xrefs	Databases
77089190	ChemSpider