charge
label: بار @fa

formula
label: فرمول @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

synonym EXACT
label: مترادف دقیق @fa

peptide
type: Concept
narrower: iturin a-8
preferred label: پپتید @fa

iturin a-8
type: Concept
charge: 0
formula: C51H80N12O14
inchi: InChI=1S/C51H80N12O14/c1-3-29(2)13-10-8-6-4-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)46(72)59-34(23-30-16-18-32(65)19-17-30)45(71)60-36(26-42(54)68)47(73)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)61-37(27-43(55)69)48(74)62-38(28-64)49(75)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,75)(H,57,70)(H,58,73)(H,59,72)(H,60,71)(H,61,76)(H,62,74)/t29?,31-,33+,34-,35+,36-,37-,38+,39+/m1/s1
inchikey: SYWSRNVDWIDEAD-KVGPBQSJSA-N
mass: 1085.271
monoisotopicmass: 1084.59170
subset: 2_STAR
synonym EXACT: 3-[(3S,6R,9R,12S,16R,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
broader: peptide
preferred label: ایتورین A 8 @fa