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CHEBI:215544 - Hebevinoside I

ChEBI IDCHEBI:215544
ChEBI NameHebevinoside I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H72O13
Net Charge0
Average Mass809.047
Monoisotopic Mass808.49729
SMILESCO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3OC[C@@H](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/C44H72O13/c1-22(2)12-11-13-23(3)32-29(55-40-37(51)35(49)34(48)30(56-40)21-53-24(4)45)19-44(9)38-28(52-10)18-26-25(42(38,7)16-17-43(32,44)8)14-15-31(41(26,5)6)57-39-36(50)33(47)27(46)20-54-39/h12,18,23,25,27-40,46-51H,11,13-17,19-21H2,1-10H3/t23-,25-,27-,28+,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39+,40-,42+,43-,44+/m1/s1
InChIKeyPEVRNEDRRNBORS-LOPOETKESA-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 I (CHEBI:215544) is a cucurbitacin (CHEBI:16219)
Hebevinoside I (CHEBI:215544) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,7S,8R,9S,10S,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
10272839ChemSpider