CHEBI:6739 - Melosatin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Melosatin A
ChEBI ID CHEBI:6739
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H23NO4
Net Charge 0
Average Mass 353.412
Monoisotopic Mass 353.16271
InChI InChI=1S/C21H23NO4/c1-25-16-13-15(12-8-4-7-11-14-9-5-3-6-10-14)17-18(20(16)26-2)22-21(24)19(17)23/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,22,23,24)
InChIKey YRBBTNSJJXHMPP-UHFFFAOYSA-N
SMILES COc1cc(CCCCCc2ccccc2)c2C(=O)C(=O)Nc2c1OC
ChEBI Ontology
Outgoing Melosatin A (CHEBI:6739) is a indoles (CHEBI:24828)
Synonym Source
Melosatin A KEGG COMPOUND
Manual Xrefs Databases
C00001746 KNApSAcK
C09221 KEGG COMPOUND
View more database links
Registry Number Type Source
64838-04-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014