CHEBI:10419 - beta-Hederin

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ChEBI Name beta-Hederin
ChEBI ID CHEBI:10419
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C41H66O11
Net Charge 0
Average Mass 734.958
Monoisotopic Mass 734.46051
InChI InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
InChIKey IBAJNOZMACNWJD-HVUPOBLPSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing beta-Hederin (CHEBI:10419) is a triterpenoid (CHEBI:36615)
Synonym Source
beta-Hederin KEGG COMPOUND
Manual Xrefs Databases
C00003529 KNApSAcK
C08955 KEGG COMPOUND
View more database links
Registry Number Type Source
35790-95-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014