CHEBI:227769 - [4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate

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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 [4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
ChEBI ID CHEBI:227769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H36N2O5
Net Charge 0
Average Mass 576.693
Monoisotopic Mass 576.26242
InChI InChI=1S/C36H36N2O5/c1-20(2)14-16-31-25(23-10-6-8-12-29(23)37-31)18-27-33(40)34(41)28(36(35(27)42)43-22(5)39)19-26-24-11-7-9-13-30(24)38-32(26)17-15-21(3)4/h6-15,37-38,40H,16-19H2,1-5H3
InChIKey OKRFRAUPCZMOFM-UHFFFAOYSA-N
SMILES O=C1C(OC(=O)C)=C(C(=O)C(=C1CC=2C3=C(C=CC=C3)NC2CC=C(C)C)O)CC=4C5=C(C=CC=C5)NC4CC=C(C)C
Metabolite of Species Details
Aspergillus candidus (NCBI:txid41067) See: PubMed
ChEBI Ontology
Outgoing [4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate (CHEBI:227769) is a indoles (CHEBI:24828)
IUPAC Name
[4-hydroxy-2,5-bis[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
Manual Xref Database
8682797 ChemSpider
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