input word = C00029721

Metabolite InformationStructural formula
Name Arganine R
Formula C57H92O26
Mw 1192.58768311
CAS RN 1028483-94-4
C_ID C00029721 ,
InChIKey FRNIFSAIUOQFBT-UVSBSQJUNA-N
InChICode InChI=1S/C57H92O26/c1-24-40(79-45-37(68)33(64)28(62)19-74-45)35(66)38(69)46(77-24)81-42-34(65)29(63)20-75-48(42)83-50(72)56-14-12-51(2,3)16-26(56)25-8-9-32-52(4)17-27(61)44(53(5,21-59)31(52)10-11-55(32,7)54(25,6)13-15-56)82-47-39(70)36(67)41(30(18-58)78-47)80-49-43(71)57(73,22-60)23-76-49/h8,24,26-49,58-71,73H,9-23H2,1-7H3/t24-,26-,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,47-,48+,49-,52-,53-,54+,55+,56-,57+/m0/s1
SMILES [C@H]1([C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1OC[C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeArgania spinosa Ref.
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OrganismArgania spinosa
ReferenceFakhar,J.Nat.Med.,61,(2007),375