CHEBI:5168 - Frangulin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Frangulin B
ChEBI ID CHEBI:5168
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H18O9
Net Charge 0
Average Mass 402.352
Monoisotopic Mass 402.09508
InChI InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
InChIKey AEQMIFRODRFTJF-SLFFLAALSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O[C@@H]4OC[C@](O)(CO)[C@H]4O)cc3C(=O)c2c1
ChEBI Ontology
Outgoing Frangulin B (CHEBI:5168) is a anthraquinone (CHEBI:22580)
Synonym Source
Frangulin B KEGG COMPOUND
Manual Xrefs Databases
C00002825 KNApSAcK
C10349 KEGG COMPOUND
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Registry Number Type Source
14101-04-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014