input word = C00029717

Metabolite InformationStructural formula
Name Arganine L
Formula C62H98O31
Mw 1338.60920642
CAS RN 1028483-86-4
C_ID C00029717 ,
InChIKey JZCCFVBSLOUKDQ-KQSHXAQQNA-N
InChICode InChI=1S/C62H98O31/c1-24-41(87-50-40(76)42(30(68)20-83-50)88-54-46(77)62(81,22-64)23-85-54)35(71)38(74)51(86-24)90-44-34(70)29(67)19-84-53(44)93-55(80)61-14-12-56(2,3)16-26(61)25-8-9-32-57(4)17-27(65)47(58(5,21-63)31(57)10-11-60(32,7)59(25,6)13-15-61)92-52-39(75)36(72)43(45(91-52)48(78)79)89-49-37(73)33(69)28(66)18-82-49/h8,24,26-47,49-54,63-77,81H,9-23H2,1-7H3,(H,78,79)/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,49-,50-,51-,52-,53-,54-,57+,58-,59+,60+,61-,62+/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[C@H]1[C@@H]([C@@](CO1)(O)CO)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]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C(=O)O)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