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CHEBI:223223 - 3-O-3'-methylbutyl-4a,10a-dihydrofusarubin A

ChEBI IDCHEBI:223223
ChEBI Name3-O-3'-methylbutyl-4a,10a-dihydrofusarubin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILESCOc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCC(C)C)OC[C@H]1C2=O
InChIInChI=1S/C20H26O7/c1-10(2)5-6-26-20(3)8-11-12(9-27-20)18(23)15-13(21)7-14(25-4)19(24)16(15)17(11)22/h7,10-12,21,24H,5-6,8-9H2,1-4H3/t11-,12-,20-/m1/s1
InChIKeyAOPGIFKQYFONDP-FKANQGBASA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (23391915)
ChEBI Ontology
Outgoing Relation(s)
3-O-3'-methylbutyl-4a,10a-dihydrofusarubin A (CHEBI:223223) is a organic heterotricyclic compound (CHEBI:26979)
3-O-3'-methylbutyl-4a,10a-dihydrofusarubin A (CHEBI:223223) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-6,9-dihydroxy-7-methoxy-3-methyl-3-(3-methylbutoxy)-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
Manual XrefsDatabases
78437719ChemSpider