CHEBI:28271 - hellebrin

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ChEBI Name hellebrin ChEBI ID CHEBI:28271 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:24478, CHEBI:5645 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H52O15 Net Charge 0 Average Mass 724.78908 Monoisotopic Mass 724.33062 InChI InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22?,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1 InChIKey DCSLTSSPIJWEJN-UVOXVOIDSA-N SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@]3(O)C1CC[C@]1(O)C[C@H](CC[C@]21C=O)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O)c1ccc(=O)oc1 ChEBI Ontology Outgoing hellebrin (CHEBI:28271) has functional parent hellebrigenin (CHEBI:38344) hellebrin (CHEBI:28271) is a α-L-rhamnoside (CHEBI:27848) hellebrin (CHEBI:28271) is a disaccharide derivative (CHEBI:63353) IUPAC Name 3β-(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyloxy)-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide Synonyms Sources Hellebrigenin 3-O-glucosylrhamnoside KEGG COMPOUND Hellebrin KEGG COMPOUND Manual Xrefs Databases C00003624 KNApSAcK C08868 KEGG COMPOUND View more database links Registry Numbers Types Sources 13289-18-4 CAS Registry Number KEGG COMPOUND 13289-18-4 CAS Registry Number ChemIDplus Last Modified 04 August 2014