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CHEBI:216419 - Asperfloketal A

ChEBI IDCHEBI:216419
ChEBI NameAsperfloketal A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O6
Net Charge0
Average Mass470.606
Monoisotopic Mass470.26684
SMILESCc1c2c(cc3c1[C@@H](O)[C@@H]1OC(=O)C[C@@H]4[C@H](C)[C@H]5O[C@]3(O[C@@H]5[C@H](C)C(C)C)[C@@]41C)CC[C@H](O)C2
InChIInChI=1S/C28H38O6/c1-12(2)13(3)24-25-15(5)19-11-21(30)32-26-23(31)22-14(4)18-10-17(29)8-7-16(18)9-20(22)28(33-24,34-25)27(19,26)6/h9,12-13,15,17,19,23-26,29,31H,7-8,10-11H2,1-6H3/t13-,15+,17+,19-,23-,24-,25-,26+,27+,28+/m1/s1
InChIKeyJLEFZUGNFYHOCU-GWBUPURTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33052677)
ChEBI Ontology
Outgoing Relation(s)
Asperfloketal A (CHEBI:216419) is a organic heterotricyclic compound (CHEBI:26979)
Asperfloketal A (CHEBI:216419) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,7S,12R,13R,17R,18S,19R,20R,22S)-7,12-dihydroxy-10,18,22-trimethyl-20-[(2R)-3-methylbutan-2-yl]-14,21,23-trioxahexacyclo[11.8.1.11,19.02,11.04,9.017,22]tricosa-2(11),3,9-trien-15-one
Manual XrefsDatabases
110417470ChemSpider