CHEBI:229960 - mogroside IIA

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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 IIA
ChEBI ID CHEBI:229960
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
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(21-15-16-40(6)26-12-10-22-23(11-13-27(45)38(22,2)3)42(26,8)28(46)17-41(21,40)7)9-14-29(39(4,5)52)55-37-35(33(50)31(48)25(19-44)54-37)56-36-34(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 NZDCGZOHJTWGOX-KZQQMABOSA-N
SMILES O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O)C6(C)C)[H])[H])C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing mogroside IIA (CHEBI:229960) has functional parent mogroside I-A1 (CHEBI:229951)
mogroside IIA (CHEBI:229960) has role plant metabolite (CHEBI:76924)
mogroside IIA (CHEBI:229960) is a β-D-glucoside (CHEBI:22798)
mogroside IIA (CHEBI:229960) is a mogroside (CHEBI:139477)
Incoming mogroside MIII-A1 (CHEBI:230511) has functional parent mogroside IIA (CHEBI:229960)
Synonym Source
mogroside II-A SUBMITTER
Citation Waiting for Citations Type Source
27821754 PubMed citation SUBMITTER