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CHEBI:169731 - S-Furanopetasitin

ChEBI IDCHEBI:169731
ChEBI NameS-Furanopetasitin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5S
Net Charge0
Average Mass432.582
Monoisotopic Mass432.19705
SMILES[H][C@]12CCC(OC(=O)/C=C/SC)[C@H](C)[C@@]1(C)[C@H](OC(=O)/C(C)=C\C)c1c(C)coc1C2
InChIInChI=1S/C24H32O5S/c1-7-14(2)23(26)29-22-21-15(3)13-27-19(21)12-17-8-9-18(16(4)24(17,22)5)28-20(25)10-11-30-6/h7,10-11,13,16-18,22H,8-9,12H2,1-6H3/b11-10+,14-7-/t16-,17+,18?,22+,24+/m0/s1
InChIKeyDZIJJEZRPMYRRP-OOEJXFKJSA-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)
S-Furanopetasitin (CHEBI:169731) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(4S,4aS,5R,8aR)-3,4a,5-trimethyl-6-[(E)-3-methylsulanylprop-2-enoyl]oxy-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
4476300ChemSpider