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CHEBI:198700 - Aspertetranone D

ChEBI IDCHEBI:198700
ChEBI NameAspertetranone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O9
Net Charge0
Average Mass436.457
Monoisotopic Mass436.17333
SMILESCc1oc(=O)c2c(c1C)O[C@@]1(C)[C@@H]([C@@H](C)[C@]3(O)CC(=O)C(C)(C)C(=O)[C@@]3(O)[C@H]1O)[C@H]2O
InChIInChI=1S/C22H28O9/c1-8-10(3)30-16(25)12-14(24)13-9(2)21(28)7-11(23)19(4,5)17(26)22(21,29)18(27)20(13,6)31-15(8)12/h9,13-14,18,24,27-29H,7H2,1-6H3/t9-,13+,14+,18+,20+,21-,22-/m1/s1
InChIKeyMQTIJAPMGXVCSM-BLVHWQIQSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies ZL0-1b14 (ncbitaxon:1719754) - PubMed (26378981)
ChEBI Ontology
Outgoing Relation(s)
Aspertetranone D (CHEBI:198700) is a organic heterotricyclic compound (CHEBI:26979)
Aspertetranone D (CHEBI:198700) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,10S,11R,12R,17R,18R)-9,12,17,18-tetrahydroxy-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
40256627ChemSpider