CHEBI:70246 - Cimigenol 3-O-beta-D-xylopyranoside

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ChEBI Name Cimigenol 3-O-beta-D-xylopyranoside
ChEBI ID CHEBI:70246
Definition A natural product found in Actaea racemosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H56O9
Net Charge 0
Average Mass 620.81370
Monoisotopic Mass 620.39243
InChI InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
InChIKey BTPYUWOBZFGKAI-XYGBCAHESA-N
SMILES [H][C@@]12C[C@@H](C)[C@]3([H])[C@@]4(C)CC[C@@]56C[C@@]55CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]5([H])CC[C@@]6([H])[C@]4(C)[C@@H](O)[C@]3(O[C@@H]1C(C)(C)O)O2
Metabolite of Species Details
Actaea racemosa (NCBI:txid64040) Found in rhizome (BTO:0001181). Methanolic extract of dried, ground rhizomes See: PubMed
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.
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cimigenol 3-O-beta-D-xylopyranoside (CHEBI:70246) has role metabolite (CHEBI:25212)
Cimigenol 3-O-beta-D-xylopyranoside (CHEBI:70246) is a cucurbitacin (CHEBI:16219)
Cimigenol 3-O-beta-D-xylopyranoside (CHEBI:70246) is a glycoside (CHEBI:24400)
Citation Waiting for Citations Type Source
21082802 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:hydroxy steroid(CHEBI:35350); ISA:disaccharide(CHEBI:36233); ISA:glycoside(CHEBI:24400); ISA:oxacycle(CHEBI:38104); ISA:oxanes(CHEBI:46942); ISA:dioxolane(CHEBI:39430); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769);