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CHEBI:188039 - Momorcharaside B

ChEBI IDCHEBI:188039
ChEBI NameMomorcharaside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O10
Net Charge0
Average Mass654.882
Monoisotopic Mass654.43430
SMILES[H][C@]12CCC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)C1=CCC1[C@]3(C)CC[C@]([H])([C@H](C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)O)[C@@]3(C)CC[C@@]12C
InChIInChI=1S/C36H62O10/c1-18(25(38)28(41)30(43)33(4,5)44)19-13-14-36(8)23-11-9-20-21(34(23,6)15-16-35(19,36)7)10-12-24(32(20,2)3)46-31-29(42)27(40)26(39)22(17-37)45-31/h9,18-19,21-31,37-44H,10-17H2,1-8H3/t18-,19+,21-,22+,23?,24?,25-,26+,27-,28+,29+,30+,31-,34+,35+,36-/m0/s1
InChIKeyBQQVUJRUVFZIJJ-MCUCJKLQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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)
Momorcharaside B (CHEBI:188039) is a cucurbitacin (CHEBI:16219)
Momorcharaside B (CHEBI:188039) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4R,5S,6S)-2-methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(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]phenanthren-17-yl]heptane-2,3,4,5-tetrol
Manual XrefsDatabases
116464ChemSpider
Registry NumbersSources
CAS:134886-64-9ChemIDplus