CHEBI:68915 - 2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside

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ChEBI Name 2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside
ChEBI ID CHEBI:68915
ChEBI ASCII Name 2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-beta-D-glucopyranoside
Definition A triterpenoid saponin of the class of cucurbitane glycosides isolated from Machilus yaoshansis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H40O9
Net Charge 0
Average Mass 544.63320
Monoisotopic Mass 544.26723
InChI InChI=1S/C30H40O9/c1-14(32)15-9-10-28(4)20-8-7-16-17(30(20,6)21(33)12-29(15,28)5)11-18(25(37)27(16,2)3)38-26-24(36)23(35)22(34)19(13-31)39-26/h7,9,11,17,19-20,22-24,26,31,34-36H,8,10,12-13H2,1-6H3/t17-,19-,20+,22-,23+,24-,26-,28+,29-,30+/m1/s1
InChIKey IWCKWAIXWURPAN-SQXHYVSRSA-N
SMILES CC(=O)C1=CC[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Metabolite of Species Details
Machilus yaoshansis (NCBI:txid251260) Found in root (BTO:0001188). Ethanolic extract of air-dried and powdered roots See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside (CHEBI:68915) has role plant metabolite (CHEBI:76924)
2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside (CHEBI:68915) is a β-D-glucoside (CHEBI:22798)
2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside (CHEBI:68915) is a methyl ketone (CHEBI:51867)
2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside (CHEBI:68915) is a monosaccharide derivative (CHEBI:63367)
2-hydroxy-(22-27)-hexanorcucurbita-1,5,16-triene-3,11,20-trione 2-O-β-D-glucopyranoside (CHEBI:68915) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(4R,9β)-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregna-2,5,16-trien-2-yl β-D-glucopyranoside
Registry Number Type Source
22123599 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22044245 PubMed citation Europe PMC
Last Modified
20 January 2014