Met001305: Phaeofuran B
Metabolite Information
Name
Phaeofuran B
IUPAC Name
(1aR,2R,3S,6R,6aS)-3-(1-hydroxybutyl)-1a,2,3,5,6,6a-hexahydrooxireno[2,3-f][2]benzofuran-2,6-diol
Molecular Formula
C12H18O5
Molecular Weight
242.27
Exact Mass
242.1154237
SMILES
CCCC(C1C2=C(CO1)C(C3C(C2O)O3)O)O
InChIKey
SRPYFEBUZUGTPY-UARVUDJCSA-N
InChI
InChI=1S/C12H18O5/c1-2-3-6(13)10-7-5(4-16-10)8(14)11-12(17-11)9(7)15/h6,8-15H,2-4H2,1H3/t6?,8-,9-,10-,11+,12-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Dihydrofurans
Subclass:
NA
Crops containing this metabolite
medicago
rice
morus
leonurus
adzuki_bean
cowpea
lemon
mango
watermelon
rice
morus
leonurus
adzuki_bean
cowpea
lemon
mango
watermelon
Metabolite Spectrum Accession Label