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CHEBI:168813 - Ichangin 4-glucoside

ChEBI IDCHEBI:168813
ChEBI NameIchangin 4-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O14
Net Charge0
Average Mass650.674
Monoisotopic Mass650.25746
SMILESCC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(c4ccoc4)OC(=O)C4OC432)C12COC(=O)CC2OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3
InChIKeyMUZOGCSYWJPGRB-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)
Ichangin 4-glucoside (CHEBI:168813) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
11-(uran-3-yl)-5-(2-hydroxypropan-2-yl)-2,10-dimethyl-4'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione
Manual XrefsDatabases
HMDB0039340HMDB