input word = C00036602

Metabolite InformationStructural formula
Name 5-O-Galloylpunicacortein D
Formula C55H32O34
Mw 1236.07749818
CAS RN 502631-46-1
C_ID C00036602 ,
InChIKey KEBLMJXDFCROIW-UHFFFAOYNA-N
InChICode InChI=1S/C55H32O34/c56-11-1-7(2-12(57)29(11)61)49(76)84-16-6-83-50(77)8-3-13(58)30(62)33(65)17(8)20-25-23-24-26(54(81)87-45(23)42(74)37(20)69)21(38(70)43(75)46(24)86-53(25)80)18-9(4-14(59)31(63)34(18)66)51(78)85-44(16)48-47-40(72)28-27(55(82)88-47)22(36(68)41(73)39(28)71)19-10(52(79)89-48)5-15(60)32(64)35(19)67/h1-5,16,40,44,47-48,56-75H,6H2/t16-,40+,44+,47-,48-/m1/s1
SMILES c12c3c4c(c(=O)o1)c1c(c(c4oc(=O)c3c(c(c2O)O)c2c(c(c(cc2C(=O)OC[C@H]([C@H](OC(=O)c2c1c(c(c(c2)O)O)O)[C@H]1OC(=O)c2c(c3c4c([C@@H]([C@H]1OC4=O)O)c(c(c3O)O)O)c(c(c(c2)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceEl-Toumy,Phytochem.,61,(2002),971