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CHEBI:211082 - Gilluone B

ChEBI IDCHEBI:211082
ChEBI NameGilluone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO9
Net Charge0
Average Mass533.618
Monoisotopic Mass533.26248
SMILESCC[C@@H](C)C(=O)O[C@]1(C)C(=O)C=C(OC)[C@@](C)(CC2=C(OC)C(C(=O)[C@H](C)CC)=C(N)[C@@](C)(O)C2=O)C1=O
InChIInChI=1S/C28H39NO9/c1-10-14(3)20(31)19-21(37-9)16(23(32)27(6,35)22(19)29)13-26(5)18(36-8)12-17(30)28(7,25(26)34)38-24(33)15(4)11-2/h12,14-15,35H,10-11,13,29H2,1-9H3/t14-,15-,26-,27-,28-/m1/s1
InChIKeyOMJCMAHMVILRNE-NMVZWQPUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c9qo00351g)
ChEBI Ontology
Outgoing Relation(s)
Gilluone B (CHEBI:211082) is a benzoquinones (CHEBI:22729)
Gilluone B (CHEBI:211082) is a quinone (CHEBI:36141)
IUPAC Name 
[(1R,5R)-5-[[(5R)-4-amino-5-hydroxy-2-methoxy-5-methyl-3-[(2R)-2-methylbutanoyl]-6-oxocyclohexa-1,3-dien-1-yl]methyl]-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2R)-2-methylbutanoate
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