input word = C00031044

Metabolite InformationStructural formula
Name Piscroside B
(-)-Piscroside B
Formula C25H32O12
Mw 524.18937649
CAS RN 914772-56-8
C_ID C00031044 ,
InChIKey LJINOWWMMBQLLM-RTRLLSMXNA-N
InChICode InChI=1S/C25H32O12/c1-32-16-9-13-17(25(11-26)22(37-25)18(13)28)23(35-16)36-24-21(31)20(30)19(29)14(34-24)10-33-15(27)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-24,26,28-31H,9-11H2,1H3/b8-7+/t13-,14-,16+,17-,18+,19-,20+,21-,22+,23+,24+,25-/m1/s1
SMILES CO[C@@H]1C[C@H]2[C@H](O)[C@@H]3O[C@]3(CO)[C@H]2[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
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OrganismNeopicrorhiza scrophulariiflora
ReferenceWang,Chem.Pharm.Bull.,54,(2006),1144