Met004790: Castamollissin
Metabolite Information
Name
Castamollissin
IUPAC Name
[6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Formula
C20H20O13
Molecular Weight
468.4
Exact Mass
468.0903907
SMILES
C1=C(C=C(C(=C1O)O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)C=O
InChIKey
SVCSAQHJACEOFN-UHFFFAOYSA-N
InChI
InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2
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
avocado
blueberry
blueberry
Metabolite Spectrum Accession Label
AVO00297n
BLU00017n
BLU00034n
BLU00082n
BLU00110n
BLU00145n
BLU00171n
BLU00179n
BLU00230n
BLU00242n
BLU00251n
BLU00253n
BLU00263n
BLU00319n
BLU00348n
BLU00357n
BLU00379n
BLU00397n
BLU00399n
BLU00424n
BLU00458n
BLU00465n
BLU00480n
BLU00495n
BLU00532n
BLU00533n
BLU00538n
BLU00545n
BLU00559n
BLU00569n
BLU00581n
BLU00602n
BLU00629n
BLU00017n
BLU00034n
BLU00082n
BLU00110n
BLU00145n
BLU00171n
BLU00179n
BLU00230n
BLU00242n
BLU00251n
BLU00253n
BLU00263n
BLU00319n
BLU00348n
BLU00357n
BLU00379n
BLU00397n
BLU00399n
BLU00424n
BLU00458n
BLU00465n
BLU00480n
BLU00495n
BLU00532n
BLU00533n
BLU00538n
BLU00545n
BLU00559n
BLU00569n
BLU00581n
BLU00602n
BLU00629n