Met007965: Butrin

  Metabolite Information

Name
Butrin
IUPAC Name
(2S)-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular Formula
C27H32O15
Molecular Weight
596.5
Exact Mass
596.1741203
SMILES
C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O
InChIKey
QVCQYYYTMIZOGK-VQBAZXIRSA-N
InChI
InChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
Other Databases Link
PubChem:164630

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Phenylpropanoids and polyketides
        Class: Flavonoids
            Subclass: Flavonoid glycosides

  Crops containing this metabolite

avocado
banana
citrus
cowpea
kidney_bean
lemon
mung_bean
parsley
peanut
perilla

  Metabolite Spectrum Accession Label

AVO00999n
AVO01106n
AVO01121n
BAN00384n
BAN00459n
BAN00536n
CIT00010p
CIT00103p
CIT00124p
CIT00135n
CIT00147p
CIT00210n
CIT00229n
CIT00232n
CIT00234p
CIT00258p
CIT00328n
CIT00413n
CIT00507n
CIT00542n
CIT00588n
CIT00596p
CIT00787n
CIT00806n
CIT00815p
CIT00830n
CIT00878n
COW00557n
KID00626n
LEM00061n
LEM00113n
LEM00147n
LEM00155n
LEM00219n
LEM00327n
LEM00487n
LEM00551n
LEM00713n
LEM00752n
LEM00852n
LEM00908n
LEM00941n
LEM00946n
LEM00966n
LEM00975n
LEM00992n
MUN00209n
MUN00292n
MUN00470n
PAR00769n
PEAN00812n
PER00596n
PER00957n
PER01163p
PER01461n