CHEBI:206209 - Pseurotin G

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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 Pseurotin G
ChEBI ID CHEBI:206209
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23NO8
Net Charge 0
Average Mass 429.425
Monoisotopic Mass 429.14237
InChI InChI=1S/C22H23NO8/c1-4-14(24)10-11-15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-8-6-5-7-9-13/h5-11,19,24-25,28H,4H2,1-3H3,(H,23,29)/b14-10-,15-11-/t19-,21-,22-/m0/s1
InChIKey GZVIFRVZRUGJNO-VTMQAQRKSA-N
SMILES O=C1N[C@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13OC(/C(/O)=C/C=C(\O)/CC)=C(C3=O)C)O
Metabolite of Species Details
Phomaspecies NTOU4195 (NCBI:txid1889261) See: PubMed
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing Pseurotin G (CHEBI:206209) is a aromatic ketone (CHEBI:76224)
IUPAC Names
(5R,8R,9S)-8-benzoyl-2-[(1Z,3Z)-1,4-dihydroxyhexa-1,3-dienyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
2-[[(Z,1S,2S)-1-[(5S,8S,9R)-8-benzoyl-9-hydroxy-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-2-yl]-1-hydroxyhex-3-en-2-yl]amino]benzamide
Manual Xrefs Databases
60596848 ChemSpider
62285040 ChemSpider
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