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CHEBI:227320 - Hebevinoside V

ChEBI IDCHEBI:227320
ChEBI NameHebevinoside V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H74O14
Net Charge0
Average Mass851.084
Monoisotopic Mass850.50786
SMILESCO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3OC[C@@H](OC(C)=O)[C@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)C[C@@]3(C)[C@H]12
InChIInChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-30(58-42-39(53)37(51)35(49)32(59-42)21-55-25(4)47)20-46(10)40-29(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-38(52)36(50)31(22-56-41)57-26(5)48/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
InChIKeyAMBFYXVSRGPNHQ-SQFKSKSMSA-N
Species of MetaboliteComponentSourceComments
Hebeloma vinosophyllum (ncbitaxon:246641) - PubMed (3698144)
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 V (CHEBI:227320) is a cucurbitacin (CHEBI:16219)
Hebevinoside V (CHEBI:227320) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6R)-6-[[(3S,7S,8R,9S,10S,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-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
Manual XrefsDatabases
10272843ChemSpider