EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199640 - 5-methoxydihydrofusarubin B

ChEBI IDCHEBI:199640
ChEBI Name5-methoxydihydrofusarubin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCOc1cc(O)c2c(c1O)[C@H](OC)[C@H]1C[C@](C)(O)OC[C@H]1C2=O
InChIInChI=1S/C16H20O7/c1-16(20)5-7-8(6-23-16)13(18)11-9(17)4-10(21-2)14(19)12(11)15(7)22-3/h4,7-8,15,17,19-20H,5-6H2,1-3H3/t7-,8+,15+,16+/m0/s1
InChIKeyGNMIZFQDJYXQMB-POVIXMMNSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies BCC14842 (ncbitaxon:914077) - DOI (10.1016/j.tet.2011.07.078)
ChEBI Ontology
Outgoing Relation(s)
5-methoxydihydrofusarubin B (CHEBI:199640) is a organic heterotricyclic compound (CHEBI:26979)
5-methoxydihydrofusarubin B (CHEBI:199640) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aS,5R,10aS)-3,6,9-trihydroxy-5,7-dimethoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
Manual XrefsDatabases
78436523ChemSpider