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CHEBI:9510 - Thalicoside A

ChEBI IDCHEBI:9510
ChEBI NameThalicoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H70O14
Net Charge0
Average Mass799.008
Monoisotopic Mass798.47656
SMILES[H][C@]1([C@H](C)[C@@H](O)CC=C(C)C)[C@@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@]4(C)CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@@]35CC[C@]12C
InChIInChI=1S/C42H70O14/c1-20(2)7-8-22(45)21(3)29-23(46)15-40(6)27-10-9-26-38(4,19-53-36-34(51)32(49)30(47)24(16-43)54-36)28(56-37-35(52)33(50)31(48)25(17-44)55-37)11-12-41(26)18-42(27,41)14-13-39(29,40)5/h7,21-37,43-52H,8-19H2,1-6H3/t21-,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+/m1/s1
InChIKeyDWONHNNHWHSAHV-JJMLNUPDSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
Thalicoside A (CHEBI:9510) is a cucurbitacin (CHEBI:16219)
Thalicoside A (CHEBI:9510) is a glycoside (CHEBI:24400)
Synonym  Source
Thalicoside AKEGG COMPOUND
Manual XrefsDatabases
C08985KEGG COMPOUND
C00003555KNApSAcK
Registry NumbersSources
CAS:93208-45-8KEGG COMPOUND