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CHEBI:171983 - 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al

ChEBI IDCHEBI:171983
ChEBI Name3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O4
Net Charge0
Average Mass486.737
Monoisotopic Mass486.37091
SMILESCOC(C)(C)/C=C/CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C
InChIInChI=1S/C31H50O4/c1-20(10-9-14-27(2,3)35-8)21-13-15-30(7)26-24(33)18-23-22(11-12-25(34)28(23,4)5)31(26,19-32)17-16-29(21,30)6/h9,14,18-22,24-26,33-34H,10-13,15-17H2,1-8H3/b14-9+
InChIKeyAEUOCNAZOMRXEC-NTEUORMPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
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)
3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al (CHEBI:171983) is a cucurbitacin (CHEBI:16219)
IUPAC Name 
3,7-dihydroxy-17-[(E)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Manual XrefsDatabases
HMDB0039362HMDB