input word = C00054663

Metabolite InformationStructural formula
Name 3,3'-Diellagic acid
Formula C28H10O16
Mw 601.99688428
CAS RN 153816-55-8
C_ID C00054663
InChIKey UFZXXHKUASPQQT-UHFFFAOYSA-N
InChICode InChI=1S/C28H10O16/c29-5-1-3-7-11-13(27(39)43-21(7)15(5)31)9(17(33)19(35)23(11)41-25(3)37)10-14-12-8-4(26(38)42-24(12)20(36)18(10)34)2-6(30)16(32)22(8)44-28(14)40/h1-2,29-36H
SMILES O=c1oc2c(O)c(O)c(-c3c(O)c(O)c4oc(=O)c5cc(O)c(O)c6oc(=O)c3c4c65)c3c(=O)oc4c(O)c(O)cc1c4c23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceJapan. Pat., 1993, 93 310 745