input word = C00029718

Metabolite InformationStructural formula
Name Arganine O
Formula C51H80O23
Mw 1060.50903886
CAS RN 1028483-88-6
C_ID C00029718 ,
InChIKey ZVAOCTGVMXKHPV-JTVWPYCZNA-N
InChICode InChI=1S/C51H80O23/c1-46(2)11-13-51(45(66)74-43-35(62)31(58)26(19-69-43)70-41-33(60)29(56)24(54)17-67-41)14-12-49(5)21(22(51)15-46)7-8-28-47(3)16-23(53)39(48(4,20-52)27(47)9-10-50(28,49)6)73-44-36(63)32(59)37(38(72-44)40(64)65)71-42-34(61)30(57)25(55)18-68-42/h7,22-39,41-44,52-63H,8-20H2,1-6H3,(H,64,65)/t22-,23-,24+,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,41-,42-,43-,44-,47-,48+,49+,50+,51-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3OC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
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