input word = C00002939

Metabolite InformationStructural formula
Name Terminalin
Formula C28H10O16
Mw 601.99688428
CAS RN 155144-63-1
C_ID C00002939 ,
InChIKey UGAJKWZVPNVCIO-UHFFFAOYSA-N
InChICode InChI=1S/C28H10O16/c29-5-1-3-7(17(33)15(5)31)9-13-11-12-14(28(40)44-23(11)19(35)21(9)41-25(3)37)10-8-4(2-6(30)16(32)18(8)34)26(38)42-22(10)20(36)24(12)43-27(13)39/h1-2,29-36H
SMILES O=c1oc2c(O)c3oc(=O)c4c5c(oc(=O)c6cc(O)c(O)c(O)c65)c(O)c5oc(=O)c(c2c2c(O)c(O)c(O)cc12)c3c54
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia oblongata Ref.
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.