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CHEBI:712 - 11-Deoxocucurbitacin I

ChEBI IDCHEBI:712
ChEBI Name11-Deoxocucurbitacin I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H44O6
Net Charge0
Average Mass500.676
Monoisotopic Mass500.31379
SMILES[H][C@@]12CC=C3C(C)(C)C(=O)C(O)=C[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@@]2(C)C[C@@H](O)[C@]1([H])[C@@](C)(O)C(=O)/C=C/C(C)(C)O
InChIInChI=1S/C30H44O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,15,18,20-21,23,31-32,35-36H,10,13-14,16H2,1-8H3/b12-11+/t18-,20-,21-,23+,27+,28-,29+,30+/m1/s1
InChIKeyPTCAIPUXGKZZBJ-CTYMYLBISA-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)
11-Deoxocucurbitacin I (CHEBI:712) is a cucurbitacin (CHEBI:16219)
Synonym  Source
11-Deoxocucurbitacin IKEGG COMPOUND
Manual XrefsDatabases
C08807KEGG COMPOUND
C00003695KNApSAcK
Registry NumbersSources
CAS:98941-76-5KEGG COMPOUND