CHEBI:216499 - Chaetoindicin C

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 Chaetoindicin C
ChEBI ID CHEBI:216499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H19NO4
Net Charge 0
Average Mass 289.331
Monoisotopic Mass 289.13141
InChI InChI=1S/C16H19NO4/c1-8-5-11-10(7-17-8)13(18)9(2)14-16(11,20)6-12(21-14)15(3,4)19/h5,7,12,19-20H,6H2,1-4H3/t12-,16-/m0/s1
InChIKey XKFSBTUQCGMWKU-LRDDRELGSA-N
SMILES O=C1C2=C(C=C(C)N=C2)[C@@]3(O)C[C@H](OC3=C1C)C(O)(C)C
Metabolite of Species Details
Dichotomopilus indicus (NCBI:txid1934381) See: PubMed
ChEBI Ontology
Outgoing Chaetoindicin C (CHEBI:216499) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(2S,9bS)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1,2-dihydrouro[3,2-]isoquinolin-5-one
Manual Xref Database
78441154 ChemSpider
View more database links