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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-O-3'-methylbutyl-4a,10a-dihydrofusarubin A
ChEBI ID CHEBI:223223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C20H26O7
Net Charge 0
Average Mass 378.421
Monoisotopic Mass 378.16785
InChI InChI=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
InChIKey AOPGIFKQYFONDP-FKANQGBASA-N
SMILES O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCC(C)C)C
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78437719 ChemSpider
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