input word = C00054732

Metabolite InformationStructural formula
Name Arganine E
Formula C63H102O32
Mw 1370.63542117
CAS RN 144442-86-4
C_ID C00054732
InChIKey OSZWSQWPSCIFCJ-UHFFFAOYSA-N
InChICode InChI=1S/C63H102O32/c1-24-44(91-51-43(80)45(30(70)19-84-51)92-55-48(81)63(83,22-66)23-87-55)39(76)42(79)52(88-24)93-46-34(71)29(69)18-85-54(46)95-56(82)62-12-10-57(2,3)14-26(62)25-8-9-33-58(4)15-28(68)49(59(5,21-65)47(58)27(67)16-61(33,7)60(25,6)11-13-62)94-53-41(78)38(75)36(73)32(90-53)20-86-50-40(77)37(74)35(72)31(17-64)89-50/h8,24,26-55,64-81,83H,9-23H2,1-7H3
SMILES OC(C(CO1)O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(CO)(O)C4O)C3O)C(O)C2O)C1OC(C56CCC(C)(C)CC5C7=CCC8C9(C)CC(O)C(OC%10C(C(C(C(O%10)COC%11C(O)C(O)C(O)C(CO)O%11)O)O)O)C(C)(CO)C9C(O)CC(C)8C(C)7CC6)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeArgania spinosa Ref.
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