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CHEBI:176306 - Hebevinoside VI

ChEBI IDCHEBI:176306
ChEBI NameHebevinoside VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O12
Net Charge0
Average Mass752.983
Monoisotopic Mass752.47108
SMILES[H][C@]1([C@H](C)CCC=C(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]2(C)C3C(O)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/C41H68O12/c1-20(2)10-9-11-21(3)29-26(51-37-34(49)32(47)31(46)27(18-42)52-37)17-41(8)35-24(43)16-23-22(39(35,6)14-15-40(29,41)7)12-13-28(38(23,4)5)53-36-33(48)30(45)25(44)19-50-36/h10,16,21-22,24-37,42-49H,9,11-15,17-19H2,1-8H3/t21-,22+,24?,25-,26+,27-,28?,29+,30+,31-,32-,33-,34-,35?,36+,37-,39+,40-,41+/m1/s1
InChIKeyMPXQWAXHGMPSTR-ZKNFPYNUSA-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)
Hebevinoside VI (CHEBI:176306) is a cucurbitacin (CHEBI:16219)
Hebevinoside VI (CHEBI:176306) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(7R,9S,10R,13R,14S,16S,17R)-7-hydroxy-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]oxane-3,4,5-triol
Manual XrefsDatabases
157460ChemSpider
Registry NumbersSources
CAS:101365-08-6ChemIDplus