CHEBI:10120 - Ziziphin

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ChEBI Name Ziziphin
ChEBI ID CHEBI:10120
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C51H80O18
Net Charge 0
Average Mass 981.172
Monoisotopic Mass 980.53447
InChI InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,47-,48+,49-,50-,51-/m0/s1
InChIKey SPFBVQWRJFUDBB-FYBFSNJASA-N
SMILES C[C@@H]1O[C@@H](O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@@H]6[C@]7(C[C@@]54CO7)O[C@H](C[C@]6(C)O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)C=C(C)C)C3(C)C)[C@H](O)[C@H]2O)[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 )
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ChEBI Ontology
Outgoing Ziziphin (CHEBI:10120) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Ziziphin KEGG COMPOUND
Manual Xrefs Databases
C00003561 KNApSAcK
C08991 KEGG COMPOUND
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Registry Number Type Source
73667-51-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014