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 c1(c(c(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O)O)CCC(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
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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