input word = C00053697

Metabolite InformationStructural formula
Name Pomegralignan
Formula C24H28O12
Mw 508.15807636
CAS RN 1562492-32-3
C_ID C00053697
InChIKey DRSIREWMODXMBU-WTJKROCISA-N
InChICode InChI=1S/C24H28O12/c1-32-15-6-10(3-4-14(15)27)21-13(8-25)12-5-11(7-16(33-2)22(12)35-21)23(31)36-24-20(30)19(29)18(28)17(9-26)34-24/h3-7,13,17-21,24-30H,8-9H2,1-2H3/t13-,17+,18+,19-,20+,21+,24-/m0/s1
SMILES COc1cc([C@H]2Oc3c(OC)cc(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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