CHEBI:200867 - Asterrelenin

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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 Asterrelenin
ChEBI ID CHEBI:200867
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H25N3O4
Net Charge 0
Average Mass 431.492
Monoisotopic Mass 431.18451
InChI InChI=1S/C25H25N3O4/c1-5-23(3,4)24-14-25(32)21(31)26-18-12-8-6-10-16(18)20(30)28(25)22(24)27(15(2)29)19-13-9-7-11-17(19)24/h5-13,22,32H,1,14H2,2-4H3,(H,26,31)/t22-,24+,25-/m0/s1
InChIKey VQSXFZXCXRKORH-CAOCKLPOSA-N
SMILES O=C1N2[C@@](O)(C(=O)NC3=C1C=CC=C3)C[C@@]4([C@H]2N(C=5C=CC=CC45)C(=O)C)C(C=C)(C)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Asterrelenin (CHEBI:200867) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Manual Xref Database
9872428 ChemSpider
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