input word = C00005804

Metabolite InformationStructural formula
Name Phellatin
Formula C26H30O12
Mw 534.17372642
CAS RN 32507-68-9
C_ID C00005804 ,
InChIKey BQLZQPGWNVTIHR-UPSLDVLQNA-N
InChICode InChI=1S/C26H30O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21,23,25,27-30,32-35H,7-8,10H2,1-2H3/t16-,19-,21+,23-,25-/m1/s1
SMILES CC(C)(O)CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaePhellodendron lavallei Ref.
PlantaeRutaceaePhellodendron sachalinense Ref.
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