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CHEBI:68909 - (16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside

ChEBI IDCHEBI:68909
ChEBI Name(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside
Stars
DefinitionA natural product found in Machilus yaoshansis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H52O12
Net Charge0
Average Mass676.800
Monoisotopic Mass676.34588
SMILES[H][C@@]12CC=C3C(C)(C)C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)C[C@@]2([H])O[C@H](C(C)(C)O)CC(=O)[C@](C)(O)[C@]12[H]
InChIInChI=1S/C36H52O12/c1-31(2)16-9-10-21-33(5)13-19-28(36(8,45)22(38)12-24(46-19)32(3,4)44)34(33,6)14-23(39)35(21,7)17(16)11-18(29(31)43)47-30-27(42)26(41)25(40)20(15-37)48-30/h9,11,17,19-21,24-28,30,37,40-42,44-45H,10,12-15H2,1-8H3/t17-,19-,20-,21+,24+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKeyIWNXFVRPEIWIJJ-VPLPWDSJSA-N
Species of MetaboliteComponentSourceComments
Machilus yaoshansis (ncbitaxon:251260) root (BTO:0001188) PubMed (22044245) Ethanolic extract of air-dried and powdered roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside (CHEBI:68909) has role metabolite (CHEBI:25212)
(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside (CHEBI:68909) is a cucurbitacin (CHEBI:16219)
(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside (CHEBI:68909) is a glycoside (CHEBI:24400)
Citations