Acremine Q (CHEBI:226248)

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CHEBI:226248 - Acremine Q

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ChEBI ID	CHEBI:226248
ChEBI Name	Acremine Q
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18O5
Net Charge	0
Average Mass	242.271
Monoisotopic Mass	242.11542
SMILES	CC(C)(O)[C@@H]1C[C@H]2CC(=O)[C@]3(C)O[C@@H]3[C@@]2(O)O1
InChI	InChI=1S/C12H18O5/c1-10(2,14)8-5-6-4-7(13)11(3)9(17-11)12(6,15)16-8/h6,8-9,14-15H,4-5H2,1-3H3/t6-,8+,9+,11+,12+/m1/s1
InChIKey	NDNCKIMCAYHONT-HLSVYSHXSA-N

Species of Metabolite	Component	Source	Comments
Verruciconidia persicina (ncbitaxon:5051)	-	PubMed (23883432)

ChEBI Ontology

Outgoing Relation(s)
	Acremine Q (CHEBI:226248) is a oxacycle (CHEBI:38104)

IUPAC Name
(1aR,3aS,5S,6aS,6bS)-6a-hydroxy-5-(2-hydroxypropan-2-yl)-1a-methyl-3a,4,5,6b-tetrahydro-3H-oxireno[2,3-g][1]benzouran-2-one

Manual Xrefs	Databases
30771261	ChemSpider