Met007679: Stephalonine C

  Metabolite Information

Name
Stephalonine C
IUPAC Name
[(1S,8R,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (Z)-3-phenylprop-2-enoate
Molecular Formula
C28H31NO7
Molecular Weight
493.5
Exact Mass
493.2100523
SMILES
COC1C(CC23CCNC24C1(OC(C4)C5=C3C(=C(C=C5)OC)O)OC)OC(=O)C=CC6=CC=CC=C6
InChIKey
OKJXULSSFGSEHT-IEUCSCEESA-N
InChI
InChI=1S/C28H31NO7/c1-32-19-11-10-18-20-16-27-26(13-14-29-27,23(18)24(19)31)15-21(25(33-2)28(27,34-3)36-20)35-22(30)12-9-17-7-5-4-6-8-17/h4-12,20-21,25,29,31H,13-16H2,1-3H3/b12-9-/t20-,21+,25+,26+,27+,28+/m1/s1
Other Databases Link
PubChem:101767220

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Alkaloids and derivatives
        Class: Hasubanan alkaloids
            Subclass: NA

  Crops containing this metabolite

mung_bean
papaya

  Metabolite Spectrum Accession Label

MUN00273p
PAP00023p
PAP00215n
PAP00351n