input word = C00054733

Metabolite InformationStructural formula
Name Arganine F
Formula C57H92O27
Mw 1208.58259774
CAS RN 144425-22-9
C_ID C00054733
InChIKey CLNPDDMTKIPNGZ-UHFFFAOYSA-N
InChICode InChI=1S/C57H92O27/c1-23-39(80-45-38(71)40(29(64)19-75-45)81-49-43(72)57(74,21-60)22-77-49)35(68)37(70)46(78-23)82-41-32(65)28(63)18-76-48(41)84-50(73)56-12-10-51(2,3)14-25(56)24-8-9-31-52(4)15-27(62)44(83-47-36(69)34(67)33(66)30(17-58)79-47)53(5,20-59)42(52)26(61)16-55(31,7)54(24,6)11-13-56/h8,23,25-49,58-72,74H,9-22H2,1-7H3
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeArgania spinosa Ref.
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