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CHEBI:180639 - Hovenidulcioside A2

ChEBI IDCHEBI:180639
ChEBI NameHovenidulcioside A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O12
Net Charge0
Average Mass706.870
Monoisotopic Mass706.39283
SMILESCC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2
InChIInChI=1S/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3
InChIKeyQYJNHCJKVKCJTN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Hovenidulcioside A2 (CHEBI:180639) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[3-[4b,8,8,10a-tetramethyl-2'-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[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
HMDB0041029HMDB