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CHEBI:206470 - (24E)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid

ChEBI IDCHEBI:206470
ChEBI Name(24E)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESC/C(=C\CCC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)[C@]4(C)C(=O)O)[C@]3(C)CC[C@]12C)C(=O)O
InChIInChI=1S/C30H46O5/c1-18(8-7-9-19(2)25(32)33)20-14-15-29(5)23-12-10-22-21(27(23,3)16-17-28(20,29)4)11-13-24(31)30(22,6)26(34)35/h9-10,18,20-21,23-24,31H,7-8,11-17H2,1-6H3,(H,32,33)(H,34,35)/b19-9+/t18?,20-,21-,23-,24+,27+,28-,29+,30-/m1/s1
InChIKeyHRYAAXQQFUABSY-NWKDZZQZSA-N
Species of MetaboliteComponentSourceComments
Russula vinosa (ncbitaxon:176830) - PubMed (30987109)
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)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid (CHEBI:206470) is a cucurbitacin (CHEBI:16219)
IUPAC Name 
(3S,4R,8R,9R,10S,13R,14S,17R)-17-[(E)-6-carboxyhept-5-en-2-yl]-3-hydroxy-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid