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CHEBI:176326 - Hovenidulcioside A1

ChEBI IDCHEBI:176326
ChEBI NameHovenidulcioside A1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H68O16
Net Charge0
Average Mass853.012
Monoisotopic Mass852.45074
SMILESCC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2
InChIInChI=1S/C44H68O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h15,21-22,24-30,32-37,39-40,45,48-52H,9-14,16-19H2,1-8H3
InChIKeyODNHLYCLMUNJRG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Hovenidulcioside A1 (CHEBI:176326) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[3-[7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-(4-methyl-5-oxo-2H-uran-2-yl)butan-2-yl] acetate
Manual XrefsDatabases
HMDB0041028HMDB