input word = C00039320

Metabolite InformationStructural formula
Name Gypsin C
Formula C42H62N8O9
Mw 822.46397564
CAS RN 1039076-69-1
C_ID C00039320 ,
InChIKey DYBWMVGRMSFBIF-RDFHTVJTNA-N
InChICode InChI=1S/C42H62N8O9/c1-7-23(3)33-39(56)47-34(24(4)8-2)42(59)50-21-11-14-32(50)41(58)49-20-10-12-30(49)37(54)43-25(5)35(52)44-26(6)40(57)48-19-9-13-31(48)38(55)45-29(36(53)46-33)22-27-15-17-28(51)18-16-27/h15-18,23-26,29-34,51H,7-14,19-22H2,1-6H3,(H,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,56)/t23-,24-,25-,26-,29-,30-,31-,32-,33-,34-/m0/s1
SMILES N1[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C1=O)[C@@H](C)CC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila arabica Ref.
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OrganismGypsophila arabica
ReferenceAbreu,J.Nat.Prod.,71,(2008),1336