input word = C00054413

Metabolite InformationStructural formula
Name 1,6'-Di-2-ellagylscillabiose
Formula C40H30O24
Mw 894.11270189
CAS RN 502627-93-2
C_ID C00054413
InChIKey FGPADURWDAOPIH-FDACYMLBSA-N
InChICode InChI=1S/C40H30O24/c1-7-30(27(49)29(51)39(57-7)58-15-5-11-20-18-9(36(53)63-34(20)25(15)47)3-13(42)22(44)32(18)61-38(11)55)64-40-28(50)26(48)23(45)16(59-40)6-56-14-4-10-19-17-8(35(52)62-33(19)24(14)46)2-12(41)21(43)31(17)60-37(10)54/h2-5,7,16,23,26-30,39-51H,6H2,1H3/t7-,16+,23+,26-,27-,28+,29+,30-,39-,40-/m0/s1
SMILES OC1=C(O)C=C2C(C3=C4C=C(O[C@@H]5O[C@@H](C)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC7=CC8=C(C(C(C(O9)=O)=CC(O)=C%10O)=C%10OC8=O)C9=C7O)O6)[C@@H](O)[C@H]5O)C(O)=C3OC2=O)=C1OC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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