EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218108 - FE35A

ChEBI IDCHEBI:218108
ChEBI NameFE35A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H31NO9
Net Charge0
Average Mass549.576
Monoisotopic Mass549.19988
SMILESC=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(C3OC(C)C(O)C(N(C)C(C)=O)C3O)c21
InChIInChI=1S/C30H31NO9/c1-7-15-10-18-22(20(11-15)37-5)17-12-21(38-6)24-19(33)9-8-16(23(24)28(17)40-30(18)36)29-27(35)25(31(4)14(3)32)26(34)13(2)39-29/h7-13,25-27,29,33-35H,1H2,2-6H3
InChIKeyLFLUKKBCPUVQAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces rochei (ncbitaxon:1928) - PubMed (10048570)
ChEBI Ontology
Outgoing Relation(s)
FE35A (CHEBI:218108) is a organic heterotricyclic compound (CHEBI:26979)
FE35A (CHEBI:218108) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
N-[2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3,5-dihydroxy-6-methyloxan-4-yl]-N-methylacetamide
Manual XrefsDatabases
78444191ChemSpider