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CHEBI:3425 - Carnosifloside I

ChEBI IDCHEBI:3425
ChEBI NameCarnosifloside I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H68O13
Net Charge0
Average Mass780.993
Monoisotopic Mass780.46599
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC/C=C(\C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C42H68O13/c1-21(19-52-37-36(51)34(49)32(47)27(55-37)20-53-38-35(50)33(48)31(46)26(18-43)54-38)9-8-10-22(2)23-15-16-40(5)28-13-11-24-25(12-14-29(44)39(24,3)4)42(28,7)30(45)17-41(23,40)6/h9,11,22-23,25-29,31-38,43-44,46-51H,8,10,12-20H2,1-7H3/b21-9+/t22-,23-,25-,26-,27-,28+,29+,31-,32-,33+,34+,35-,36-,37-,38-,40+,41-,42+/m1/s1
InChIKeyFHOKVOIILRHONR-NOLKYRRZSA-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)
Carnosifloside I (CHEBI:3425) is a cucurbitacin (CHEBI:16219)
Synonym  Source
Carnosifloside IKEGG COMPOUND
Manual XrefsDatabases
C08790KEGG COMPOUND
C00003679KNApSAcK
Registry NumbersSources
CAS:109985-90-2KEGG COMPOUND