CHEBI:205136 - Pyrenoline B

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 Pyrenoline B
ChEBI ID CHEBI:205136
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H13NO3
Net Charge 0
Average Mass 243.262
Monoisotopic Mass 243.08954
InChI InChI=1S/C14H13NO3/c1-7-4-8-5-9-11(16)2-3-12(17)13(9)14(18)10(8)6-15-7/h4-6,11,16,18H,2-3H2,1H3/t11-/m0/s1
InChIKey NIYXKENUJWLUGW-NSHDSACASA-N
SMILES O=C1C2=C(O)C=3C(=CC(C)=NC3)C=C2[C@@H](O)CC1
Metabolite of Species Details
Pyrenophora teres (NCBI:txid53485) See: DOI
ChEBI Ontology
Outgoing Pyrenoline B (CHEBI:205136) is a isoquinolines (CHEBI:24922)
IUPAC Name
(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
Manual Xref Database
78440213 ChemSpider
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