Met003868: Gomisin E
Metabolite Information
Name
Gomisin E
IUPAC Name
12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one
Molecular Formula
C28H34O9
Molecular Weight
514.6
Exact Mass
514.2202827
SMILES
CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1C)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
InChIKey
MLGBLGQFPHASJN-UHFFFAOYSA-N
InChI
InChI=1S/C28H34O9/c1-13-8-16-9-19-24(36-12-35-19)26-20(16)21-17(10-18(31-5)23(32-6)25(21)33-7)22(15(13)3)37-27(29)28(4,30)14(2)11-34-26/h9-10,13-15,22,30H,8,11-12H2,1-7H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Tannins
Subclass:
Hydrolyzable tannins
Crops containing this metabolite
s_miltiorrhiza
citrus
lemon
citrus
lemon
Metabolite Spectrum Accession Label