input word = C00000993

Metabolite InformationStructural formula
Name Pinocembrin 7-rhamnosylglucoside
Pinocembrin 7-O-neohesperidoside
Formula C27H32O13
Mw 564.18429111
CAS RN 13241-31-1
C_ID C00000993 ,
InChIKey UVPBNPUZWAOBQX-PFCHDKOYNA-N
InChICode InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccccc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeSparattosperma vernicosum Ref.
PlantaePteridaceaeOnychium japonicum Ref.
PlantaeSapindaceaeLitchi chinensis Ref.
PlantaeSolanaceaeNierembergia hippomanica Ref.
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