input word = C00008728

Metabolite InformationStructural formula
Name Phellavin
Formula C26H32O12
Mw 536.18937649
CAS RN 32507-67-8
C_ID C00008728 ,
InChIKey YXACCHLOUSCDDR-FTWLGPBWNA-N
InChICode InChI=1S/C26H32O12/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/h3-6,9,16,19,21-25,27-30,32-35H,7-8,10H2,1-2H3/t16-,19+,21-,22+,23+,24+,25+/m0/s1
SMILES c1(c(c2c(cc1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@@H]([C@@H](C2=O)O)c1ccc(cc1)O)O)CCC(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaePhellodendron japonicum Ref.
PlantaeRutaceaePhellodendron lavallei Ref.
PlantaeRutaceaePhellodendron sachalinense Ref.
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