Met003486: Sibiricaphenone
Metabolite Information
Name
Sibiricaphenone
IUPAC Name
1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]ethanone
Molecular Formula
C20H28O11
Molecular Weight
444.4
Exact Mass
444.1631617
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C(=O)C)CO)O)O)O)O)O
InChIKey
FOOOHAFYCMYYBP-QLDOSHOCSA-N
InChI
InChI=1S/C20H28O11/c1-8(22)10-3-5-11(6-4-10)29-20-18(16(26)14(24)12(7-21)30-20)31-19-17(27)15(25)13(23)9(2)28-19/h3-6,9,12-21,23-27H,7H2,1-2H3/t9-,12+,13-,14+,15+,16-,17+,18+,19-,20+/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
lentil
loquat
mango
peanut
loquat
mango
peanut
Metabolite Spectrum Accession Label