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CHEBI:168290 - Hovenidulcigenin B

ChEBI IDCHEBI:168290
ChEBI NameHovenidulcigenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O7
Net Charge0
Average Mass546.745
Monoisotopic Mass546.35565
SMILESCC(=O)OC(CC1CC(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2
InChIInChI=1S/C32H50O7/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/h18-19,21-26,34H,8-17H2,1-7H3
InChIKeyMXWZRFQGLOGOMW-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 B (CHEBI:168290) 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-oxooxolan-2-yl)butan-2-yl] acetate
Manual XrefsDatabases
35015201ChemSpider
HMDB0041547HMDB