CHEBI:213338 - 1-formyl-5-hydroxyaszonalenin

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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 1-formyl-5-hydroxyaszonalenin
ChEBI ID CHEBI:213338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H23N3O4
Net Charge 0
Average Mass 417.465
Monoisotopic Mass 417.16886
InChI InChI=1S/C24H23N3O4/c1-4-23(2,3)24-12-19-20(30)25-17-8-6-5-7-15(17)21(31)27(19)22(24)26(13-28)18-10-9-14(29)11-16(18)24/h4-11,13,19,22,29H,1,12H2,2-3H3,(H,25,30)/t19-,22-,24+/m1/s1
InChIKey INBDIMBHBIPEPY-CKUXNOBLSA-N
SMILES O=C1N2[C@H]3N(C=4C=CC(=CC4[C@@]3(C(C=C)(C)C)C[C@@H]2C(=O)NC5=C1C=CC=C5)O)C=O
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: DOI
ChEBI Ontology
Outgoing 1-formyl-5-hydroxyaszonalenin (CHEBI:213338) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(2R,10S,12R)-7-hydroxy-10-(2-methylbut-3-en-2-yl)-13,21-dioxo-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-3-carbaldehyde
Manual Xref Database
78438033 ChemSpider
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