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CHEBI:168836 - Hovenidulcigenin A

ChEBI IDCHEBI:168836
ChEBI NameHovenidulcigenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O7
Net Charge0
Average Mass544.729
Monoisotopic Mass544.34000
SMILESCC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2
InChIInChI=1S/C32H48O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h14,19,21-26,34H,8-13,15-17H2,1-7H3
InChIKeyCMKWUYXJKXGQMH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Hovenidulcigenin A (CHEBI:168836) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[3-(7-hydroxy-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
HMDB0041027HMDB
35015078ChemSpider