input word = C00048075

Metabolite InformationStructural formula
Name Qniumucin
Formula C54H96N12O27P2
Mw 1406.59830893
CAS RN 1196512-05-6
C_ID C00048075 ,
InChIKey RYJBFSAVHUWBEW-HXMQKNDHNA-N
InChICode InChI=1S/C54H96N12O27P2/c1-22(2)36(48(78)62-30(52(82)83)13-14-34(69)70)64-49(79)37(23(3)4)63-46(76)31-12-11-17-66(31)51(81)25(6)59-45(75)24(5)58-50(80)38(27(8)91-54-40(61-29(10)68)44(74)42(72)33(93-54)21-89-95(86,87)19-16-56)65-47(77)35(57)26(7)90-53-39(60-28(9)67)43(73)41(71)32(92-53)20-88-94(84,85)18-15-55/h22-27,30-33,35-44,53-54,71-74H,11-21,55-57H2,1-10H3,(H,58,80)(H,59,75)(H,60,67)(H,61,68)(H,62,78)(H,63,76)(H,64,79)(H,65,77)(H,69,70)(H,82,83)(H,84,85)(H,86,87)/t24-,25-,26+,27+,30-,31-,32+,33+,35-,36-,37-,38-,39+,40+,41-,42-,43+,44+,53-,54-/m0/s1
SMILES [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1NC(=O)C)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C)C)NC(=O)[C@H]([C@H](O[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1NC(=O)C)O)O)CO[P@@](=O)(CCN)O)C)N)C)CO[P@](=O)(CCN)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAurelia aurita Ref.
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