(1'Z)-dechloromycorrhizin A (CHEBI:200345)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200345 - (1'Z)-dechloromycorrhizin A

Take structure to advanced search

ChEBI ID	CHEBI:200345
ChEBI Name	(1'Z)-dechloromycorrhizin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H16O4
Net Charge	0
Average Mass	248.278
Monoisotopic Mass	248.10486
SMILES	C/C=C\C1=CC(=O)[C@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O
InChI	InChI=1S/C14H16O4/c1-4-5-8-6-10(15)13-7-9(13)12(2,3)18-14(13,17)11(8)16/h4-6,9,17H,7H2,1-3H3/b5-4-/t9-,13-,14+/m0/s1
InChIKey	PIKQVDHHJWKTME-MWXCKUNPSA-N

Species of Metabolite	Component	Source	Comments
Lachnum (ncbitaxon:47817)	-	PubMed (7706125)

ChEBI Ontology

Outgoing Relation(s)
	(1'Z)-dechloromycorrhizin A (CHEBI:200345) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(1aR,3aS,7aS)-3a-hydroxy-2,2-dimethyl-5-[(Z)-prop-1-enyl]-1,1a-dihydrocyclopropa[c][1]benzouran-4,7-dione

Manual Xrefs	Databases
8419210	ChemSpider