Met006268: Sculponeatin D

  Metabolite Information

Name
Sculponeatin D
IUPAC Name
(1S,4S,6S,8R,9R,12S,13S,16R)-6,9-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Molecular Formula
C20H26O6
Molecular Weight
362.4
Exact Mass
362.1729385
SMILES
CC1(C(CC2C3(C1C(OC3)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2)O)C
InChIKey
MQOJPNKACWKUGI-CDKPERABSA-N
InChI
InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16-,19+,20-/m1/s1
Other Databases Link
PubChem:352542

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Prenol lipids
            Subclass: Terpene lactones

  Crops containing this metabolite

broad_bean
kidney_bean
mung_bean

  Metabolite Spectrum Accession Label

BROB00024n
BROB00425n
KID00016n
MUN00392n