CHEBI:3425 - Carnosifloside I

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ChEBI Name Carnosifloside I
ChEBI ID CHEBI:3425
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H68O13
Net Charge 0
Average Mass 780.983
Monoisotopic Mass 780.46599
InChI InChI=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
InChIKey FHOKVOIILRHONR-NOLKYRRZSA-N
SMILES C[C@H](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)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Roles Classification
Biological Role(s): 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.
(via cucurbitacin )
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ChEBI Ontology
Outgoing Carnosifloside I (CHEBI:3425) is a cucurbitacin (CHEBI:16219)
Synonym Source
Carnosifloside I KEGG COMPOUND
Manual Xrefs Databases
C00003679 KNApSAcK
C08790 KEGG COMPOUND
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Registry Number Type Source
109985-90-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014