CHEBI:6094 - Justicidin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Justicidin B
ChEBI ID CHEBI:6094
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H16O6
Net Charge 0
Average Mass 364.349
Monoisotopic Mass 364.09469
InChI InChI=1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3
InChIKey RTDRYYULUYRTAN-UHFFFAOYSA-N
SMILES COc1cc2cc3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC
ChEBI Ontology
Outgoing Justicidin B (CHEBI:6094) is a lignan (CHEBI:25036)
Synonym Source
Justicidin B KEGG COMPOUND
Manual Xrefs Databases
C00000701 KNApSAcK
C10636 KEGG COMPOUND
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Registry Number Type Source
17951-19-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014