input word = C00054731

Metabolite InformationStructural formula
Name Arganine D
Formula C64H104O32
Mw 1384.65107123
CAS RN 144442-85-3
C_ID C00054731
InChIKey DJCSFRKWBHBHBJ-ZMLWWYLZSA-N
InChICode InChI=1S/C64H104O32/c1-23-34(71)38(75)43(80)54(88-23)93-48-30(70)20-85-53(46(48)83)92-47-24(2)89-55(45(82)41(47)78)94-49-35(72)29(69)19-86-57(49)96-58(84)64-13-11-59(3,4)15-26(64)25-9-10-33-60(5)16-28(68)51(61(6,22-66)50(60)27(67)17-63(33,8)62(25,7)12-14-64)95-56-44(81)40(77)37(74)32(91-56)21-87-52-42(79)39(76)36(73)31(18-65)90-52/h9,23-24,26-57,65-83H,10-22H2,1-8H3/t23-,24-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52+,53-,54-,55-,56-,57+,60+,61-,62+,63+,64-/m0/s1
SMILES O[C@@H]([C@H](CO1)O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1OC([C@]56CCC(C)(C)C[C@@]5([H])C7=CC[C@]8([H])[C@@]9(C)C[C@H](O)[C@H](O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO[C@H]%11[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O%11)O)O)O)[C@@](C)(CO)[C@@]([H])9[C@H](O)C[C@](C)8[C@@](C)7CC6)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeArgania spinosa Ref.
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