Roseopurpurin E (CHEBI:218861)

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CHEBI:218861 - Roseopurpurin E

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ChEBI ID	CHEBI:218861
ChEBI Name	Roseopurpurin E
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Submitter	MetaboLights
Downloads	Molfile

Formula	C18H22O8
Net Charge	0
Average Mass	366.366
Monoisotopic Mass	366.13147
SMILES	CO[C@@]1(C)[C@@H](O)C(O)=C(C)C(=O)[C@@H]1Oc1c(C)c(O)cc(C)c1C(=O)O
InChI	InChI=1S/C18H22O8/c1-7-6-10(19)8(2)14(11(7)17(23)24)26-16-13(21)9(3)12(20)15(22)18(16,4)25-5/h6,15-16,19-20,22H,1-5H3,(H,23,24)/t15-,16-,18-/m0/s1
InChIKey	OFAIPEZAGBTTCZ-BQFCYCMXSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (27537356)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Roseopurpurin E (CHEBI:218861) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
2-[(1R,5S,6S)-4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl]oxy-4-hydroxy-3,6-dimethylbenzoic acid

Manual Xrefs	Databases
78440396	ChemSpider