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CHEBI:192172 - Hebevinoside XIV

ChEBI IDCHEBI:192172
ChEBI NameHebevinoside XIV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H74O15
Net Charge0
Average Mass879.094
Monoisotopic Mass878.50277
SMILES[H][C@]12[C@@H](O)C=C3C(C)(C)[C@H](O[C@@H]4OC[C@@H](OC(C)=O)[C@H](OC(C)=O)C4O)CC[C@]3([H])[C@@]1(C)CC[C@@]1(C)[C@H](C(C)CCC=C(C)C)[C@H](O[C@@H]3O[C@@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)C[C@]21C
InChIInChI=1S/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-38(54)37(53)36(52)32(61-43)21-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-39(55)40(59-27(6)50)33(22-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3/t24?,28-,30-,31+,32-,33+,34+,35+,36+,37-,38-,39?,40-,41-,42-,43+,45+,46-,47+/m0/s1
InChIKeyHZVGDAABVDIGIT-ILTSGNOUSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
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 XIV (CHEBI:192172) is a cucurbitacin (CHEBI:16219)
Hebevinoside XIV (CHEBI:192172) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,4S,5S,6R)-6-[[(3R,7S,8S,9R,10R,13S,14R,16R,17S)-3-[(2S,4R,5R)-4,5-diacetyloxy-3-hydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate