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CHEBI:192863 - Hebevinoside XI

ChEBI IDCHEBI:192863
ChEBI NameHebevinoside XI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H74O14
Net Charge0
Average Mass851.084
Monoisotopic Mass850.50786
SMILES[H][C@]1([C@H](C)CCC=C(C)C)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2O)C[C@@]2(C)C3[C@H](OC)C=C4C(C)(C)C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4([H])[C@]3(C)CC[C@]12C
InChIInChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-31(58-42-38(53)36(51)39(57-26(5)48)32(59-42)22-55-25(4)47)20-46(10)40-30(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-37(52)35(50)29(49)21-56-41/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3/t24-,27+,29-,30-,31+,32-,33?,34+,35+,36+,37-,38-,39-,40?,41+,42-,44+,45-,46+/m1/s1
InChIKeyBDIZCZITXGMZCF-VLBBCCKOSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
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)
Hebevinoside XI (CHEBI:192863) is a cucurbitacin (CHEBI:16219)
Hebevinoside XI (CHEBI:192863) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(7R,9S,10R,13R,14S,16S,17R)-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]oxan-2-yl]methyl acetate
Manual XrefsDatabases
157464ChemSpider
Registry NumbersSources
CAS:101365-13-3ChemIDplus