CHEBI:10219 - alpha-Chaconine

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ChEBI Name alpha-Chaconine
ChEBI ID CHEBI:10219
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C45H73NO14
Net Charge 0
Average Mass 852.061
Monoisotopic Mass 851.503
InChI InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey TYNQWWGVEGFKRU-AJDPQWBVSA-N
SMILES C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alpha-Chaconine (CHEBI:10219) is a steroid saponin (CHEBI:61655)
Synonym Source
alpha-Chaconine KEGG COMPOUND
Manual Xrefs Databases
C00002242 KNApSAcK
C10796 KEGG COMPOUND
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Registry Number Type Source
20562-03-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014