Emeriphenolicin D (CHEBI:211763)

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CHEBI:211763 - Emeriphenolicin D

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ChEBI ID	CHEBI:211763
ChEBI Name	Emeriphenolicin D
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Submitter	MetaboLights
Downloads	Molfile

Formula	C24H33NO4
Net Charge	0
Average Mass	399.531
Monoisotopic Mass	399.24096
SMILES	COc1c2c(cc(O)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)NC2
InChI	InChI=1S/C24H33NO4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-29-23-21(26)14-19-20(22(23)28-5)15-25-24(19)27/h8,10,12,14,26H,6-7,9,11,13,15H2,1-5H3,(H,25,27)/b17-10+,18-12+
InChIKey	QQJUOXNBECRACA-VZRGJMDUSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies HK-ZJ (ncbitaxon:713472)	-	PubMed (21601895)

ChEBI Ontology

Outgoing Relation(s)
	Emeriphenolicin D (CHEBI:211763) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
6-hydroxy-4-methoxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2,3-dihydroisoindol-1-one

Manual Xrefs	Databases
27022412	ChemSpider