CHEBI:145196 - Mogroside II B

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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 Mogroside II B
ChEBI ID CHEBI:145196
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C42H72O14
Net Charge 0
Average Mass 801.024
Monoisotopic Mass 800.49221
InChI InChI=1S/C42H72O14/c1-20(9-13-27(45)39(4,5)56-37-35(52)33(50)31(48)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)28(46)17-41(21,40)7)11-14-29(38(22,2)3)55-36-34(51)32(49)30(47)24(18-43)53-36/h10,20-21,23-37,43-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
InChIKey OMJOQOVMHUWPCF-VHLOEOCYSA-N
SMILES O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C5(C)C)[H])[H])C
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 Mogroside II B (CHEBI:145196) is a β-D-glucoside (CHEBI:22798)
Mogroside II B (CHEBI:145196) is a 3-hydroxy steroid (CHEBI:36834)
Mogroside II B (CHEBI:145196) is a steroid saponin (CHEBI:61655)