CHEBI:8912 - Rugosinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Rugosinone
ChEBI ID CHEBI:8912
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H15NO6
Net Charge 0
Average Mass 353.326
Monoisotopic Mass 353.08994
InChI InChI=1S/C19H15NO6/c1-23-13-4-3-11(18(22)19(13)24-2)17(21)16-12-8-15-14(25-9-26-15)7-10(12)5-6-20-16/h3-8,22H,9H2,1-2H3
InChIKey MMPVUYPJIFYAEK-UHFFFAOYSA-N
SMILES COc1ccc(C(=O)c2nccc3cc4OCOc4cc23)c(O)c1OC
ChEBI Ontology
Outgoing Rugosinone (CHEBI:8912) is a isoquinolines (CHEBI:24922)
Synonym Source
Rugosinone KEGG COMPOUND
Manual Xrefs Databases
C00001913 KNApSAcK
C00024767 KNApSAcK
C09634 KEGG COMPOUND
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Registry Number Type Source
73609-04-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014