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

aspergilasine d
type: Concept
charge: 0
formula: C42H49NO12
inchi: InChI=1S/C42H49NO12/c1-15(2)10-23-27-18(5)17(4)12-21-11-16(3)8-9-24(44)29-25-26(31(47)38(21,27)36(50)43-23)33-39-20(7)28(45)32(48)42(52,55-29)41(39,34(25)54-33)40(51)30(46)19(6)22-13-53-14-37(22,39)35(40)49/h11-12,15,18,21,23-27,29,33-34,44-45,51-52H,8-10,13-14H2,1-7H3,(H,43,50)/b16-11+/t18-,21+,23+,24-,25-,26-,27+,29-,33+,34-,37+,38+,39-,40+,41+,42-/m1/s1
inchikey: XHMIZGNHPDEJPO-GUOVHHFRSA-N
mass: 759.849
monoisotopicmass: 759.32548
subset: 2_STAR
synonym EXACT: (1S,2S,4R,5R,6S,13R,14R,18S,20S,21R,24E,26S,29S,30R,31S,34S,36S)-6,16,18,21-tetrahydroxy-8,15,24,28,29-pentamethyl-31-(2-methylpropyl)-3,11,19-trioxa-32-azadecacyclo[18.15.1.16,13.02,14.04,36.05,14.05,18.09,13.026,34.030,34]heptatriaconta-8,15,24,27-tetraene-7,17,33,35,37-pentone
broader: triterpenoid
preferred label: آسپرژیلاسین دی @fa

triterpenoid
type: Concept
narrower: aspergilasine d
preferred label: تری ترپنوئید @fa