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CHEBI:229960 - mogroside IIA

ChEBI IDCHEBI:229960
ChEBI Namemogroside IIA
Stars
SubmitterAnne Morgat
DownloadsMolfile
FormulaC42H72O14
Net Charge0
Average Mass801.024
Monoisotopic Mass800.49221
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)[C@H](O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O
InChIInChI=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
InChIKeyNZDCGZOHJTWGOX-KZQQMABOSA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 mogroside (CHEBI:139477)
mogroside IIA (CHEBI:229960) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
mogroside III-A1 (CHEBI:230511) has functional parent mogroside IIA (CHEBI:229960)
Synonym  Source
M2-ASUBMITTER
UniProt Name  Source
mogroside II-AUniProt
Citations