Met004324: Pyranodelphinin A

  Metabolite Information

Name
Pyranodelphinin A
IUPAC Name
[7-methyl-3-(3,4,5-trihydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
Molecular Formula
C30H33O16+
Molecular Weight
649.6
Exact Mass
649.17686
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=[OH+])C=C5C4=C3C=C(O5)C)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)O
InChIKey
BLQGGUCBKRCYIY-QWIIXQASSA-O
InChI
InChI=1S/C30H32O16/c1-9-3-13-19-16(42-9)6-12(31)7-17(19)44-27(11-4-14(32)21(35)15(33)5-11)28(13)46-30-26(40)24(38)22(36)18(45-30)8-41-29-25(39)23(37)20(34)10(2)43-29/h3-7,10,18,20,22-26,29-30,32-40H,8H2,1-2H3/p+1/t10-,18+,20-,22+,23+,24-,25+,26+,29+,30-/m0/s1
Other Databases Link
PubChem:11285205

  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

parsley

  Metabolite Spectrum Accession Label

PAR00018n
PAR00702n