Erinaceolactone E (CHEBI:218263)

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CHEBI:218263 - Erinaceolactone E

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ChEBI ID	CHEBI:218263
ChEBI Name	Erinaceolactone E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H24O7
Net Charge	0
Average Mass	376.405
Monoisotopic Mass	376.15220
SMILES	COc1cc2c(c(O)c1C/C=C(\C)C[C@@H](/C=C(\C)C(=O)O)OC)COC2=O
InChI	InChI=1S/C20H24O7/c1-11(7-13(25-3)8-12(2)19(22)23)5-6-14-17(26-4)9-15-16(18(14)21)10-27-20(15)24/h5,8-9,13,21H,6-7,10H2,1-4H3,(H,22,23)/b11-5+,12-8+/t13-/m0/s1
InChIKey	GOGQLLWTHMPWQZ-ZTIQAZPQSA-N

Species of Metabolite	Component	Source	Comments
Hericium erinaceus (ncbitaxon:91752)	-	PubMed (27243466)

ChEBI Ontology

Outgoing Relation(s)
	Erinaceolactone E (CHEBI:218263) is a terpene lactone (CHEBI:37668)

IUPAC Name
(2E,4S,6E)-8-(4-hydroxy-6-methoxy-1-oxo-3H-2-benzouran-5-yl)-4-methoxy-2,6-dimethylocta-2,6-dienoic acid

Manual Xrefs	Databases
78441803	ChemSpider