CHEBI:5167 - Frangulin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Frangulin A
ChEBI ID CHEBI:5167
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H20O9
Net Charge 0
Average Mass 416.379
Monoisotopic Mass 416.11073
InChI InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1
InChIKey DTTVUKLWJFJOHO-FUCRAMRQSA-N
SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Frangulin A (CHEBI:5167) is a anthraquinone (CHEBI:22580)
Synonym Source
Frangulin A KEGG COMPOUND
Manual Xrefs Databases
C00002824 KNApSAcK
C10346 KEGG COMPOUND
View more database links
Registry Number Type Source
521-62-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014