EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216362 - SNF4435C

ChEBI IDCHEBI:216362
ChEBI NameSNF4435C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO6
Net Charge0
Average Mass477.557
Monoisotopic Mass477.21514
SMILESCOc1oc([C@H]2C[C@@]3(CO2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@]2(C)C=C(C)C=C(C)[C@@H]23)c(C)c(=O)c1C
InChIInChI=1S/C28H31NO6/c1-15-11-16(2)24-27(5,12-15)25(19-7-9-20(10-8-19)29(31)32)28(24)13-21(34-14-28)23-17(3)22(30)18(4)26(33-6)35-23/h7-12,21,24-25H,13-14H2,1-6H3/t21-,24+,25-,27-,28+/m1/s1
InChIKeyDXCYJJKWPZZHNZ-PAWAVCGOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspeciesctabilis (ncbitaxon:68270) - PubMed (11560371)
ChEBI Ontology
Outgoing Relation(s)
SNF4435C (CHEBI:216362) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
2-methoxy-3,5-dimethyl-6-[(1R,2'R,6S,7S,8R)-1,3,5-trimethyl-8-(4-nitrophenyl)spiro[bicyclo[4.2.0]octa-2,4-diene-7,4'-oxolane]-2'-yl]pyran-4-one
Manual XrefsDatabases
8088555ChemSpider