input word = C00001746

Metabolite InformationStructural formula
Name Melosatin A
Formula C21H23NO4
Mw 353.16270823
CAS RN 64838-04-6
C_ID C00001746 ,
InChIKey YRBBTNSJJXHMPP-UHFFFAOYSA-N
InChICode InChI=1S/C21H23NO4/c1-25-16-13-15(12-8-4-7-11-14-9-5-3-6-10-14)17-18(20(16)26-2)22-21(24)19(17)23/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,22,23,24)
SMILES c1c(cccc1)CCCCCc1cc(c(c2c1C(=O)C(=O)N2)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeMelochia tomentosa Ref.
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OrganismMelochia tomentosa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20