charge
label: بار @fa

formula
label: فرمول @fa

has_functional_parent
label: والد-عملکردی دارد @fa

has_role
label: نقشی دارد @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

synonym RELATED
label: مترادف مرتبط @fa

metabolite
type: Concept
preferred label: متابولیت @fa

organic heterotricyclic compound
type: Concept
narrower: papulacandin b
preferred label: ترکیب هتروتری حلقوی آلی @fa

antifungal agent
type: Concept
preferred label: عامل ضد قارچ @fa

alpha-lactose
type: Concept
preferred label: آلفا لاکتوز @fa

papulacandin b
type: Concept
charge: 0
formula: C47H64O17
has_functional_parent: alpha-lactose
has_role: metabolite
has_role: antifungal agent
inchi: InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7-,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28-,31?,33-,35+,36+,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1
inchikey: UJLFRJFJTPPIOK-RZGJRGQUSA-N
mass: 901.00090
monoisotopicmass: 900.41435
subset: 3_STAR
synonym EXACT: (1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-({6-O-[(2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl]-beta-D-galactopyranosyl}oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
synonym RELATED: papulacandin-B
broader: organic heterotricyclic compound
broader: papulacandin
preferred label: پاپولاکاندین B @fa

papulacandin
type: Concept
narrower: papulacandin b
preferred label: پاپولاکاندین @fa