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CHEBI:209759 - Aspertetranone C

ChEBI IDCHEBI:209759
ChEBI NameAspertetranone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCc1oc(=O)c2c(c1C)O[C@@]1(C)[C@H](C2)[C@@H](C)[C@]2(O)CC(=O)C(C)(C)C(=O)[C@@]2(O)[C@H]1O
InChIInChI=1S/C22H28O8/c1-9-11(3)29-16(24)12-7-13-10(2)21(27)8-14(23)19(4,5)17(25)22(21,28)18(26)20(13,6)30-15(9)12/h10,13,18,26-28H,7-8H2,1-6H3/t10-,13-,18+,20+,21-,22-/m1/s1
InChIKeyHPOOTMLUWHHBQS-SWOHXVJISA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies ZL0-1b14 (ncbitaxon:1719754) - PubMed (26378981)
ChEBI Ontology
Outgoing Relation(s)
Aspertetranone C (CHEBI:209759) is a organic heterotricyclic compound (CHEBI:26979)
Aspertetranone C (CHEBI:209759) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,10R,11R,12R,17R,18R)-12,17,18-trihydroxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,14,16-trione
Manual XrefsDatabases
40256625ChemSpider