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CHEBI:48201 - frenolicin B

ChEBI IDCHEBI:48201
ChEBI Namefrenolicin B
Stars
Last Modified6 June 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILES[H][C@@]12CC(=O)O[C@]1([H])C1=C(C(=O)c3c(O)cccc3C1=O)[C@@H](CCC)O2
InChIInChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3/t10-,11-,18+/m1/s1
InChIKeyAVCPRTNVVRPELB-YRUZYCQGSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
frenolicin B (CHEBI:48201) has role metabolite (CHEBI:25212)
frenolicin B (CHEBI:48201) is a p-quinones (CHEBI:25830)
frenolicin B (CHEBI:48201) is a benzoisochromanequinone (CHEBI:48129)
IUPAC Name 
(3aR,5R,11bR)-7-hydroxy-5-propyl-3,3a,5,11b-tetrahydro-2H-furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione
Registry NumbersSources
Beilstein:6436493Beilstein
CAS:68930-68-7ChemIDplus