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CHEBI:210932 - Aspertetranone B

ChEBI IDCHEBI:210932
ChEBI NameAspertetranone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O9
Net Charge0
Average Mass420.414
Monoisotopic Mass420.14203
SMILESCc1cc2c(c(=O)o1)C(=O)[C@@H]1[C@@H](C)[C@]3(O)CC(=O)C(C)(C)C(=O)[C@@]3(O)[C@@H](O)[C@@]1(C)O2
InChIInChI=1S/C21H24O9/c1-8-6-10-12(15(24)29-8)14(23)13-9(2)20(27)7-11(22)18(3,4)16(25)21(20,28)17(26)19(13,5)30-10/h6,9,13,17,26-28H,7H2,1-5H3/t9-,13+,17+,19+,20-,21-/m1/s1
InChIKeyJTVMNJUTRHAGJS-JEIGLBJOSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies ZL0-1b14 (ncbitaxon:1719754) - PubMed (26378981)
ChEBI Ontology
Outgoing Relation(s)
Aspertetranone B (CHEBI:210932) is a organic heterotricyclic compound (CHEBI:26979)
Aspertetranone B (CHEBI:210932) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,10R,11R,12R,17R,18R)-12,17,18-trihydroxy-1,5,11,15,15-pentamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9,14,16-tetrone
Manual XrefsDatabases
40256626ChemSpider