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CHEBI:217108 - 22-deoxy-10-oxominiolutelide B

ChEBI IDCHEBI:217108
ChEBI Name22-deoxy-10-oxominiolutelide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESCOC(=O)[C@]12C(=O)[C@H](C)O[C@@H]3OC(=O)[C@](C)(C[C@H]4[C@@H](C)C5=CC(=O)OC(C)(C)C5=C[C@@H](O)[C@@]41C)[C@@H]32
InChIInChI=1S/C26H32O9/c1-11-13-8-17(28)35-23(3,4)14(13)9-16(27)25(6)15(11)10-24(5)18-20(34-21(24)30)33-12(2)19(29)26(18,25)22(31)32-7/h8-9,11-12,15-16,18,20,27H,10H2,1-7H3/t11-,12-,15-,16+,18+,20+,24+,25+,26-/m0/s1
InChIKeyXGVYEEWRZLZVBE-KUALTSLDSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies 6A-9 (ncbitaxon:1586111) - DOI (10.1002/ejoc.201701335)
ChEBI Ontology
Outgoing Relation(s)
22-deoxy-10-oxominiolutelide B (CHEBI:217108) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,3R,11R,12S,14R,17R,19S,21R)-3-hydroxy-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate
Manual XrefsDatabases
64808910ChemSpider