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CHEBI:211088 - Gilluone C

ChEBI IDCHEBI:211088
ChEBI NameGilluone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O9
Net Charge0
Average Mass518.603
Monoisotopic Mass518.25158
SMILESCC[C@@H](C)C(=O)O[C@]1(C)C(=O)C[C@]2(OC)Oc3cc(OC)c(C(=O)[C@H](C)CC)c(OC)c3C[C@@]2(C)C1=O
InChIInChI=1S/C28H38O9/c1-10-15(3)22(30)21-19(33-7)12-18-17(23(21)34-8)13-26(5)25(32)27(6,37-24(31)16(4)11-2)20(29)14-28(26,35-9)36-18/h12,15-16H,10-11,13-14H2,1-9H3/t15-,16-,26+,27-,28+/m1/s1
InChIKeyCWGVUOYFANRGMN-FCQCMELOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c9qo00351g)
ChEBI Ontology
Outgoing Relation(s)
Gilluone C (CHEBI:211088) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2R,4aS,9aS)-4a,6,8-trimethoxy-2,9a-dimethyl-7-[(2R)-2-methylbutanoyl]-1,3-dioxo-4,9-dihydroxanthen-2-yl] (2R)-2-methylbutanoate
Manual XrefsDatabases
77089213ChemSpider