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CHEBI:202846 - 3-O-2'-phenylethyl-4a,10a-dihydrofusarubin A

ChEBI IDCHEBI:202846
ChEBI Name3-O-2'-phenylethyl-4a,10a-dihydrofusarubin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O7
Net Charge0
Average Mass412.438
Monoisotopic Mass412.15220
SMILESCOc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCc3ccccc3)OC[C@H]1C2=O
InChIInChI=1S/C23H24O7/c1-23(29-9-8-13-6-4-3-5-7-13)11-14-15(12-30-23)21(26)18-16(24)10-17(28-2)22(27)19(18)20(14)25/h3-7,10,14-15,24,27H,8-9,11-12H2,1-2H3/t14-,15-,23-/m1/s1
InChIKeyRMDRBXLEUUTIFV-GGOJBBCOSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (23391915)
ChEBI Ontology
Outgoing Relation(s)
3-O-2'-phenylethyl-4a,10a-dihydrofusarubin A (CHEBI:202846) is a organic heterotricyclic compound (CHEBI:26979)
3-O-2'-phenylethyl-4a,10a-dihydrofusarubin A (CHEBI:202846) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-6,9-dihydroxy-7-methoxy-3-methyl-3-(2-phenylethoxy)-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
Manual XrefsDatabases
78436921ChemSpider