input word = C00044728

Metabolite InformationStructural formula
Name Draconin A
(-)-Draconin A
Formula C44H64O17
Mw 864.41435062
CAS RN 565205-14-3
C_ID C00044728 ,
InChIKey MBDYQOIVJMSYGC-QIMOYQPHNA-N
InChICode InChI=1S/C44H64O17/c1-18-16-54-44(39(52)33(18)50)19(2)32-30(61-44)15-28-26-10-9-24-13-25(48)14-31(43(24,8)27(26)11-12-42(28,32)7)59-40-36(34(51)29(49)17-53-40)60-41-38(58-23(6)47)37(57-22(5)46)35(20(3)55-41)56-21(4)45/h9,19-20,25-41,48-52H,1,10-17H2,2-8H3/t19-,20-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-/m0/s1
SMILES [C@H]1([C@H]([C@@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]1[C@H](O[C@@H]2C[C@H](O)CC3=CC[C@@H]4[C@@H]([C@@]23C)CC[C@]2([C@H]4C[C@H]3[C@@H]2[C@@H]([C@@]2(O3)OCC(=C)[C@@H]([C@@H]2O)O)C)C)OC[C@@H]([C@@H]1O)O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena draco Ref.
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OrganismDracaena draco
ReferenceGonzalez,J.Nat.Prod.,66,(2003),793