CHEBI:213609 - 12-demethyl-12-oxo-eurotechinulin B

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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 12-demethyl-12-oxo-eurotechinulin B
ChEBI ID CHEBI:213609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H33N3O3
Net Charge 0
Average Mass 459.590
Monoisotopic Mass 459.25219
InChI InChI=1S/C28H33N3O3/c1-8-28(6,7)24-21(15-22-25(32)31-27(34)26(33)29-22)20-14-18(11-9-16(2)3)13-19(23(20)30-24)12-10-17(4)5/h8-10,13-15H,1,11-12H2,2-7H3,(H,29,33)(H2,31,32,34)
InChIKey QBHLUAIWFDJXQG-UHFFFAOYSA-N
SMILES O=C1NC(O)=C(C=C2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)N=C2C(C=C)(C)C)NC1=O
Metabolite of Species Details
Aspergillus ruber (NCBI:txid396024) See: DOI
ChEBI Ontology
Outgoing 12-demethyl-12-oxo-eurotechinulin B (CHEBI:213609) is a indoles (CHEBI:24828)
IUPAC Name
5-hydroxy-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)indol-3-ylidene]methyl]-1,4-dihydropyrazine-2,3-dione