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CHEBI:201081 - Marfuraquinocin A

ChEBI IDCHEBI:201081
ChEBI NameMarfuraquinocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O5
Net Charge0
Average Mass438.564
Monoisotopic Mass438.24062
SMILESC=C1CCCC(C)(C)C1CC[C@@]1(C)c2c(O)cc3c(c2O[C@@H]1CC)C(=O)C=C(OC)C3=O
InChIInChI=1S/C27H34O5/c1-7-21-27(5,12-10-17-15(2)9-8-11-26(17,3)4)23-19(29)13-16-22(25(23)32-21)18(28)14-20(31-6)24(16)30/h13-14,17,21,29H,2,7-12H2,1,3-6H3/t17?,21-,27-/m1/s1
InChIKeyFBKTXRWCMSOJAX-DVIKFTFBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24251399)
ChEBI Ontology
Outgoing Relation(s)
Marfuraquinocin A (CHEBI:201081) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,3S)-3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-ethyl-4-hydroxy-7-methoxy-3-methyl-2H-benzo[g][1]benzouran-6,9-dione
Manual XrefsDatabases
78436720ChemSpider