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.
zoom in



OrganismOnychium japonicum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter36