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CHEBI:168841 - Isopetasoside

ChEBI IDCHEBI:168841
ChEBI NameIsopetasoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O7
Net Charge0
Average Mass396.480
Monoisotopic Mass396.21480
SMILESCC(C)=C1CC2(C)C(=CC1=O)CCC(OC1OC(CO)C(O)C(O)C1O)C2C
InChIInChI=1S/C21H32O7/c1-10(2)13-8-21(4)11(3)15(6-5-12(21)7-14(13)23)27-20-19(26)18(25)17(24)16(9-22)28-20/h7,11,15-20,22,24-26H,5-6,8-9H2,1-4H3
InChIKeyAVZCSGMWWXMJEA-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)
Isopetasoside (CHEBI:168841) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
4a,5-dimethyl-3-propan-2-ylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Manual XrefsDatabases
HMDB0029622HMDB