CHEBI:8920 - Rutamarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Rutamarin
ChEBI ID CHEBI:8920
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24O5
Net Charge 0
Average Mass 356.413
Monoisotopic Mass 356.16237
InChI InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1
InChIKey AWMHMGFGCLBSAY-SFHVURJKSA-N
SMILES CC(=O)OC(C)(C)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C
ChEBI Ontology
Outgoing Rutamarin (CHEBI:8920) is a furanocoumarin (CHEBI:24128)
Synonym Source
Rutamarin KEGG COMPOUND
Manual Xrefs Databases
C00002495 KNApSAcK
C09308 KEGG COMPOUND
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Registry Number Type Source
14882-94-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014