CHEBI:197994 - Demethylasterriquinone B1

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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 Demethylasterriquinone B1
ChEBI ID CHEBI:197994
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H30N2O4
Net Charge 0
Average Mass 506.602
Monoisotopic Mass 506.22056
InChI InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3
InChIKey XMGNJVXBPZAETK-UHFFFAOYSA-N
SMILES O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)O)C=4C5=C(C(=CC=C5)CC=C(C)C)NC4
Metabolite of Species Details
Pseudomassaria (NCBI:txid398387) See: PubMed
ChEBI Ontology
Outgoing Demethylasterriquinone B1 (CHEBI:197994) is a prenylquinone (CHEBI:26255)
IUPAC Name
2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Manual Xrefs Databases
2281897 ChemSpider
HMDB0250991 HMDB
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