Met009637: Iandonoside B
Metabolite Information
Name
Iandonoside B
IUPAC Name
(1R,4R,5R,6S,7R,8S,11R,13S,16S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Molecular Formula
C26H38O14
Molecular Weight
574.6
Exact Mass
574.2261559
SMILES
CC1C(C2(C3C4(C(CC5C3(C1(C(C(=O)O5)O)O)CO2)C(=CC(C4O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)O
InChIKey
FXBQHLKUFHKBNN-LVIKPBPKSA-N
InChI
InChI=1S/C26H38O14/c1-8-4-11(38-21-16(30)15(29)14(28)12(6-27)39-21)18(32)23(3)10(8)5-13-24-7-37-26(36,22(23)24)17(31)9(2)25(24,35)19(33)20(34)40-13/h4,9-19,21-22,27-33,35-36H,5-7H2,1-3H3/t9-,10-,11-,12+,13+,14+,15-,16+,17+,18+,19+,21+,22+,23+,24+,25-,26-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Terpene lactones
Crops containing this metabolite
chestnut
Metabolite Spectrum Accession Label