Chaxine E (CHEBI:211059)

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CHEBI:211059 - Chaxine E

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ChEBI ID	CHEBI:211059
ChEBI Name	Chaxine E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O4
Net Charge	0
Average Mass	442.640
Monoisotopic Mass	442.30831
SMILES	CC(C)C(C)CCC(C)[C@H]1CC[C@H]2/C(=C/C(=O)OC3(C)CCC=CC3=O)C(=O)CC[C@]12C
InChI	InChI=1S/C28H42O4/c1-18(2)19(3)10-11-20(4)22-12-13-23-21(24(29)14-16-27(22,23)5)17-26(31)32-28(6)15-8-7-9-25(28)30/h7,9,17-20,22-23H,8,10-16H2,1-6H3/b21-17-/t19?,20?,22-,23+,27-,28?/m1/s1
InChIKey	GEHBFLFKYFSTFJ-VHOHXAQWSA-N

Species of Metabolite	Component	Source	Comments
Agrocybe chaxingu (ncbitaxon:84603)	-	DOI (10.1016/j.tet.2009.09.064)

ChEBI Ontology

Outgoing Relation(s)
	Chaxine E (CHEBI:211059) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1-methyl-2-oxocyclohex-3-en-1-yl) (2Z)-2-[(1R,3aR,7aR)-1-(5,6-dimethylheptan-2-yl)-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene]acetate

Manual Xrefs	Databases
78445340	ChemSpider