Ochuscin G (CHEBI:216869)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216869 - Ochuscin G

Take structure to advanced search

ChEBI ID	CHEBI:216869
ChEBI Name	Ochuscin G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28O8
Net Charge	0
Average Mass	396.436
Monoisotopic Mass	396.17842
SMILES	COc1c(C)c(O)c(C(C)=O)c2c1[C@]1(C)C[C@@](O)([C@H](C)O)[C@@H](O)C[C@]1(OC)O2
InChI	InChI=1S/C20H28O8/c1-9-15(24)13(10(2)21)17-14(16(9)26-5)18(4)8-19(25,11(3)22)12(23)7-20(18,27-6)28-17/h11-12,22-25H,7-8H2,1-6H3/t11-,12-,18-,19+,20-/m0/s1
InChIKey	IDWHTMAEHYCKDV-ROILNYFKSA-N

Species of Metabolite	Component	Source	Comments
Scolecobasidium (ncbitaxon:37940)	-	DOI (10.1016/j.tet.2020.131066)

ChEBI Ontology

Outgoing Relation(s)
	Ochuscin G (CHEBI:216869) is a acetophenones (CHEBI:22187)

IUPAC Name
1-[(5aS,7S,8R,9aS)-3,7,8-trihydroxy-8-[(1S)-1-hydroxyethyl]-1,5a-dimethoxy-2,9a-dimethyl-7,9-dihydro-6H-dibenzouran-4-yl]ethanone

Manual Xrefs	Databases
101935333	ChemSpider