Met007431: Thelephantin E
Metabolite Information
Name
Thelephantin E
IUPAC Name
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] benzoate
Molecular Formula
C33H24O8
Molecular Weight
548.5
Exact Mass
548.1471177
SMILES
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O
InChIKey
YCFNLYQTIFFNTO-UHFFFAOYSA-N
InChI
InChI=1S/C33H24O8/c34-24-15-11-21(12-16-24)27-30(38)32(41-33(39)23-9-5-2-6-10-23)28(22-13-17-25(35)18-14-22)29(37)31(27)40-26(36)19-20-7-3-1-4-8-20/h1-18,34-35,37-38H,19H2
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Depsides and depsidones
Subclass:
NA
Crops containing this metabolite
broccoli
peanut
peanut
Metabolite Spectrum Accession Label