CHEBI:200622 - Aspertetranone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aspertetranone A
ChEBI ID CHEBI:200622
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O9
Net Charge 0
Average Mass 434.441
Monoisotopic Mass 434.15768
InChI InChI=1S/C22H26O9/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/h9,13,18,27-29H,7H2,1-6H3/t9-,13+,18+,20+,21-,22-/m1/s1
InChIKey YOSOWEHAEZDGPS-WHIYRLCQSA-N
SMILES O=C1OC(=C(C)C2=C1C(=O)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C
Metabolite of Species Details
Aspergillusspecies ZL0-1b14 (NCBI:txid1719754) See: PubMed
ChEBI Ontology
Outgoing Aspertetranone A (CHEBI:200622) is a organic heterotricyclic compound (CHEBI:26979)
Aspertetranone A (CHEBI:200622) 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-7,9,14,16-tetrone
Manual Xref Database
40256624 ChemSpider
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