CHEBI:145177 - momordicoside S

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 momordicoside S
ChEBI ID CHEBI:145177
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C48H82O20
Net Charge 0
Average Mass 979.164
Monoisotopic Mass 978.53995
InChI InChI=1S/C48H82O20/c1-20(29(51)36(58)40(62)45(4,5)68-43-39(61)34(56)31(53)25(18-50)65-43)21-13-14-48(8)27-11-9-22-23(46(27,6)15-16-47(21,48)7)10-12-28(44(22,2)3)67-42-38(60)35(57)32(54)26(66-42)19-63-41-37(59)33(55)30(52)24(17-49)64-41/h9,20-21,23-43,49-62H,10-19H2,1-8H3/t20-,21+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,42-,43-,46-,47+,48-/m0/s1
InChIKey FLOZMFUXKAHVBX-JCXXTIGUSA-N
SMILES O([C@@H]1C(C=2[C@]([C@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)(C)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)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 momordicoside S (CHEBI:145177) is a 3-hydroxy steroid (CHEBI:36834)
momordicoside S (CHEBI:145177) is a disaccharide derivative (CHEBI:63353)
momordicoside S (CHEBI:145177) is a steroid saponin (CHEBI:61655)