Met001101: Jadomycin A

  Metabolite Information

Name
Jadomycin A
IUPAC Name
(3S,6S)-3-[(2S)-butan-2-yl]-11,19-dihydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
Molecular Formula
C24H21NO6
Molecular Weight
419.4
Exact Mass
419.1368874
SMILES
CCC(C)C1C(=O)OC2N1C3=C(C4=C2C=C(C=C4O)C)C(=O)C5=C(C3=O)C(=CC=C5)O
InChIKey
AVMSKCRHMKXYOO-JNVIWZAMSA-N
InChI
InChI=1S/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23-/m0/s1
Other Databases Link
PubChem:12160163

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organoheterocyclic compounds
        Class: Quinolines and derivatives
            Subclass: Benzoquinolines

  Crops containing this metabolite

bittermelon
garlic

  Metabolite Spectrum Accession Label

BIT00507p
GAR00013p