CHEBI:224576 - Asperversiamide O

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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 Asperversiamide O
ChEBI ID CHEBI:224576
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H31N3O5
Net Charge 0
Average Mass 465.550
Monoisotopic Mass 465.22637
InChI InChI=1S/C26H31N3O5/c1-6-23(2,3)25(14-26(33)22(32)29-11-7-8-18(29)20(30)28-26)16-12-15-9-10-24(4,5)34-19(15)13-17(16)27-21(25)31/h6,9-10,12-13,18,33H,1,7-8,11,14H2,2-5H3,(H,27,31)(H,28,30)/t18?,25-,26?/m0/s1
InChIKey KALGTNUAKASIJM-FHZBLKBXSA-N
SMILES O=C1N2C(C(=O)NC1(O)C[C@]3(C(=O)NC4=C3C=C5C=CC(OC5=C4)(C)C)C(C=C)(C)C)CCC2
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Asperversiamide O (CHEBI:224576) is a 1-benzopyran (CHEBI:38443)
IUPAC Name
3-[[(6S)-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-8H-pyrano[3,2-]indol-6-yl]methyl]-3-hydroxy-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
Manual Xref Database
128436136 ChemSpider
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