CHEBI:199567 - Marfuraquinocin C

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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 Marfuraquinocin C
ChEBI ID CHEBI:199567
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O6
Net Charge 0
Average Mass 440.536
Monoisotopic Mass 440.21989
InChI InChI=1S/C26H32O6/c1-14-7-6-9-25(2,3)16(14)8-10-26(4)20(13-27)32-24-21-15(11-18(29)22(24)26)23(30)19(31-5)12-17(21)28/h11-12,16,20,27,29H,1,6-10,13H2,2-5H3/t16?,20-,26-/m1/s1
InChIKey FOTKGFOGIIZYTA-FVKAXFGDSA-N
SMILES O=C1C(OC)=CC(=O)C2=C1C=C(O)C3=C2O[C@H](CO)[C@]3(CCC4C(=C)CCCC4(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Marfuraquinocin C (CHEBI:199567) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(2S,3S)-3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-4-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methyl-2H-benzo[g][1]benzouran-6,9-dione
Manual Xref Database
30771451 ChemSpider
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