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CHEBI:192057 - Eremopetasitenin B2

ChEBI IDCHEBI:192057
ChEBI NameEremopetasitenin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7S
Net Charge0
Average Mass464.580
Monoisotopic Mass464.18687
SMILESC/C=C(\C)C(=O)OC1C2(C)C(CCC(OC(=O)/C=C\SC)C2C)CC23OC(=O)C(C)C12O3
InChIInChI=1S/C24H32O7S/c1-7-13(2)19(26)29-21-22(5)14(3)17(28-18(25)10-11-32-6)9-8-16(22)12-23-24(21,31-23)15(4)20(27)30-23/h7,10-11,14-17,21H,8-9,12H2,1-6H3/b11-10-,13-7+
InChIKeyDDMWYCBISCBTIJ-PCGFSOLGSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Eremopetasitenin B2 (CHEBI:192057) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[3,4,13-trimethyl-5-[(Z)-3-methylsulanylprop-2-enoyl]oxy-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0030901HMDB
35013283ChemSpider