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CHEBI:203348 - 3-O-2'-methylbutyl-4a,10a-dihydrofusarubin A

ChEBI IDCHEBI:203348
ChEBI Name3-O-2'-methylbutyl-4a,10a-dihydrofusarubin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILESCC[C@H](C)CO[C@@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@H]2CO1
InChIInChI=1S/C20H26O7/c1-5-10(2)8-26-20(3)7-11-12(9-27-20)18(23)15-13(21)6-14(25-4)19(24)16(15)17(11)22/h6,10-12,21,24H,5,7-9H2,1-4H3/t10-,11+,12+,20+/m0/s1
InChIKeyHANCKSHFXPSBBO-JBXDMFIJSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (23391915)
ChEBI Ontology
Outgoing Relation(s)
3-O-2'-methylbutyl-4a,10a-dihydrofusarubin A (CHEBI:203348) is a organic heterotricyclic compound (CHEBI:26979)
3-O-2'-methylbutyl-4a,10a-dihydrofusarubin A (CHEBI:203348) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aS)-6,9-dihydroxy-7-methoxy-3-methyl-3-[(2S)-2-methylbutoxy]-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
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78436997ChemSpider