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CHEBI:176253 - (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside

ChEBI IDCHEBI:176253
ChEBI Name(3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O8
Net Charge0
Average Mass620.868
Monoisotopic Mass620.42882
SMILESCC(C)=CC(O)CC(C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C
InChIInChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3
InChIKeyPOYBZOIHJHDZFP-UHFFFAOYSA-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)
(3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside (CHEBI:176253) is a cucurbitacin (CHEBI:16219)
IUPAC Name 
2-[[3-hydroxy-17-(4-hydroxy-6-methylhept-5-en-2-yl)-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
74886458ChemSpider
HMDB0037034HMDB