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CHEBI:205118 - (24E)-3,4-hydroxycucurbita-5,24-diene-26-oic acid

ChEBI IDCHEBI:205118
ChEBI Name(24E)-3,4-hydroxycucurbita-5,24-diene-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILESC/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)C(=O)O
InChIInChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-15-16-30(7)24-13-11-22-23(12-14-25(31)27(22,3)4)28(24,5)17-18-29(21,30)6/h10-11,19,21,23-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,23-,24-,25+,28+,29-,30+/m1/s1
InChIKeyJMOPTHLWCJXLBX-MTPQQZNSSA-N
Species of MetaboliteComponentSourceComments
Russula lepida (ncbitaxon:152963) - DOI (10.1002/1522-2675(20001220)83:12<3191::aid-hlca3191>3.0.co;2-v)
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)
(24E)-3,4-hydroxycucurbita-5,24-diene-26-oic acid (CHEBI:205118) is a cucurbitacin (CHEBI:16219)
IUPAC Name 
(E,6R)-6-[(3S,8R,9R,10S,13R,14S,17R)-3-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
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78441906ChemSpider