Graphostromol E (CHEBI:207497)

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CHEBI:207497 - Graphostromol E

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ChEBI ID	CHEBI:207497
ChEBI Name	Graphostromol E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O4
Net Charge	0
Average Mass	310.434
Monoisotopic Mass	310.21441
SMILES	CC(=O)OCC(C)(C)C(=O)CC/C=C/C=C/C(C)(C)[C@H](C)O
InChI	InChI=1S/C18H30O4/c1-14(19)17(3,4)12-10-8-7-9-11-16(21)18(5,6)13-22-15(2)20/h7-8,10,12,14,19H,9,11,13H2,1-6H3/b8-7+,12-10+/t14-/m0/s1
InChIKey	VFUTWIAUDWRGRZ-DPVZRCDISA-N

Species of Metabolite	Component	Source	Comments
Graphostromaspecies (ncbitaxon:1933438)	-	PubMed (31368179)

ChEBI Ontology

Outgoing Relation(s)
	Graphostromol E (CHEBI:207497) is a carboxylic ester (CHEBI:33308)

IUPAC Name
[(6E,8E,11S)-11-hydroxy-2,2,10,10-tetramethyl-3-oxododeca-6,8-dienyl] acetate

Manual Xrefs	Databases
81360843	ChemSpider