CHEBI:145199 - Kuguaglycoside E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kuguaglycoside E
ChEBI ID CHEBI:145199
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C42H70O14
Net Charge 0
Average Mass 799.008
Monoisotopic Mass 798.47656
InChI InChI=1S/C42H70O14/c1-20(2)14-22(53-37-34(51)32(49)30(47)27(17-43)55-37)15-21(3)23-10-11-41(7)36-26(54-38-35(52)33(50)31(48)28(18-44)56-38)16-25-24(8-9-29(46)39(25,4)5)42(36,19-45)13-12-40(23,41)6/h14,16,21-24,26-38,43-52H,8-13,15,17-19H2,1-7H3/t21-,22?,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,40-,41+,42-/m1/s1
InChIKey LSBBAHYFHCJMIN-DJDUJDLESA-N
SMILES O([C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C(C)C)C)[H])(CC[C@]2([C@]5(C(=C1)C([C@@H](O)CC5)(C)C)[H])CO)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO
Metabolite of Species Details
Momordica charantia (NCBI:txid3673) Found in seed (BTO:0001226). See: MetaboLights Study
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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Kuguaglycoside E (CHEBI:145199) is a β-D-glucoside (CHEBI:22798)
Kuguaglycoside E (CHEBI:145199) is a 3-hydroxy steroid (CHEBI:36834)
Kuguaglycoside E (CHEBI:145199) is a steroid saponin (CHEBI:61655)