CHEBI:3942 - Cucurbitacin C

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ChEBI Name Cucurbitacin C
ChEBI ID CHEBI:3942
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H48O8
Net Charge 0
Average Mass 560.720
Monoisotopic Mass 560.33492
InChI InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
InChIKey DGIGXLXLGBAJJN-TUOUHCSQSA-N
SMILES CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(CO)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 Cucurbitacin C (CHEBI:3942) is a cucurbitacin (CHEBI:16219)
Synonym Source
Cucurbitacin C KEGG COMPOUND
Manual Xrefs Databases
C00003684 KNApSAcK
C08795 KEGG COMPOUND
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Registry Number Type Source
5988-76-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014