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CHEBI:176276 - Momordicoside K

ChEBI IDCHEBI:176276
ChEBI NameMomordicoside K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O9
Net Charge0
Average Mass648.878
Monoisotopic Mass648.42373
SMILES[H][C@@]12[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C=O)CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)C/C=C/C(C)(C)OC
InChIInChI=1S/C37H60O9/c1-21(10-9-14-33(2,3)44-8)22-13-15-36(7)31-25(45-32-30(43)29(42)28(41)26(19-38)46-32)18-24-23(11-12-27(40)34(24,4)5)37(31,20-39)17-16-35(22,36)6/h9,14,18,20-23,25-32,38,40-43H,10-13,15-17,19H2,1-8H3/b14-9+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,35-,36+,37-/m1/s1
InChIKeyHPSVQEWDZSDXRG-ZMMZJDKESA-N
Roles Classification
Biological Role:
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
Momordicoside K (CHEBI:176276) is a cucurbitacin (CHEBI:16219)
IUPAC Name 
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
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