CHEBI:145190 - momordicoside B

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 B
ChEBI ID CHEBI:145190
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C47H80O19
Net Charge 0
Average Mass 949.138
Monoisotopic Mass 948.52938
InChI InChI=1S/C47H80O19/c1-20(29(50)34(55)39(59)44(4,5)60)21-13-14-47(8)27-11-9-22-23(45(27,6)15-16-46(21,47)7)10-12-28(43(22,2)3)65-42-37(58)38(66-41-35(56)30(51)24(49)18-61-41)32(53)26(64-42)19-62-40-36(57)33(54)31(52)25(17-48)63-40/h9,20-21,23-42,48-60H,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-,45-,46+,47-/m0/s1
InChIKey VBPXCWKMJJPMSZ-PURPTQTASA-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)C)C)[H])(CC3)C)C)(CC2)[H])C)(CC1)[H])(C)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@@H]6O)[C@H]5O)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 B (CHEBI:145190) is a 3-hydroxy steroid (CHEBI:36834)
momordicoside B (CHEBI:145190) is a polysaccharide derivative (CHEBI:65212)
momordicoside B (CHEBI:145190) is a steroid saponin (CHEBI:61655)