CHEBI:3940 - Cucurbitacin A

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ChEBI Name Cucurbitacin A
ChEBI ID CHEBI:3940
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H46O9
Net Charge 0
Average Mass 574.703
Monoisotopic Mass 574.31418
InChI InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
InChIKey IHTCCHVMPGDDSL-IVNGUWCNSA-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](C[C@H](O)C(=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 A (CHEBI:3940) is a cucurbitacin (CHEBI:16219)
Synonym Source
Cucurbitacin A KEGG COMPOUND
Manual Xrefs Databases
C00003682 KNApSAcK
C08793 KEGG COMPOUND
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Registry Number Type Source
6040-19-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014