CHEBI:198242 - (+)-discoipyrrole A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 (+)-discoipyrrole A
ChEBI ID CHEBI:198242
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H23NO5
Net Charge 0
Average Mass 441.483
Monoisotopic Mass 441.15762
InChI InChI=1S/C27H23NO5/c1-16(2)15-27-25(31)23(17-7-11-19(29)12-8-17)24(18-9-13-20(30)14-10-18)28(27)22-6-4-3-5-21(22)26(32)33-27/h3-14,16,29-30H,15H2,1-2H3/t27-/m0/s1
InChIKey AUCVFNBQPWKHPK-MHZLTWQESA-N
SMILES O=C1O[C@@]2(N(C(C3=CC=C(O)C=C3)=C(C2=O)C4=CC=C(O)C=C4)C5=C1C=CC=C5)CC(C)C
Metabolite of Species Details
Shouchella hunanensis (NCBI:txid766894) See: PubMed
ChEBI Ontology
Outgoing (+)-discoipyrrole A (CHEBI:198242) is a stilbenoid (CHEBI:26776)
IUPAC Name
(3aS)-1,2-bis(4-hydroxyphenyl)-3a-(2-methylpropyl)pyrrolo[1,2-a][3,1]benzoxazine-3,5-dione
Manual Xref Database
78439999 ChemSpider
View more database links