CHEBI:2898 - Astrasieversianin XVI

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ChEBI Name Astrasieversianin XVI
ChEBI ID CHEBI:2898
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C47H78O18
Net Charge 0
Average Mass 931.113
Monoisotopic Mass 930.51882
InChI InChI=1S/C47H78O18/c1-20-28(51)31(54)33(56)38(60-20)64-35-29(52)22(50)18-59-40(35)63-26-10-12-47-19-46(47)14-13-43(6)36(45(8)11-9-27(65-45)42(4,5)58)21(49)16-44(43,7)25(46)15-23(37(47)41(26,2)3)61-39-34(57)32(55)30(53)24(17-48)62-39/h20-40,48-58H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39+,40-,43+,44-,45+,46-,47+/m0/s1
InChIKey OHYHOQFXLXSVIP-SOMZREBESA-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@]34C[C@]33CC[C@]5(C)C([C@@H](O)C[C@@]5(C)[C@@H]3C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)[C@@]2(C)CC[C@H](O2)C(C)(C)O)[C@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
(via cucurbitacin )
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ChEBI Ontology
Outgoing Astrasieversianin XVI (CHEBI:2898) is a cucurbitacin (CHEBI:16219)
Astrasieversianin XVI (CHEBI:2898) is a glycoside (CHEBI:24400)
Synonym Source
Astrasieversianin XVI KEGG COMPOUND
Manual Xrefs Databases
C00003501 KNApSAcK
C08925 KEGG COMPOUND
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Registry Number Type Source
101843-82-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014