EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181772 - (24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside

ChEBI IDCHEBI:181772
ChEBI Name(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O14
Net Charge0
Average Mass799.008
Monoisotopic Mass798.47656
SMILESC/C(=C/CCC(CO)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12C)COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C42H70O14/c1-21(19-53-36-34(51)32(49)30(47)24(17-44)54-36)7-6-8-22(16-43)23-11-12-40(5)27-10-9-26-38(2,3)29(56-37-35(52)33(50)31(48)25(18-45)55-37)15-28(46)42(26)20-41(27,42)14-13-39(23,40)4/h7,22-37,43-52H,6,8-20H2,1-5H3/b21-7-
InChIKeyZTYDPVHKIPHQAR-YXSASFKJSA-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)
(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside (CHEBI:181772) is a cucurbitacin (CHEBI:16219)
(24Z)-26-(Hexopyranosyloxy)-1,21-dihydroxy-9,19-cyclolanost-24-en-3-yl hexopyranoside (CHEBI:181772) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[(Z)-7-hydroxy-6-[4-hydroxy-7,7,12,16-tetramethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
22913219ChemSpider