input word = C00031043

Metabolite InformationStructural formula
Name Piscroside A
(-)-Piscroside A
Formula C23H29ClO13
Mw 548.12966872
CAS RN 914772-55-7
C_ID C00031043 ,
InChIKey OFCHERKLMXQQJW-YSGOKWCFNA-N
InChICode InChI=1S/C23H29ClO13/c1-32-11-4-8(2-3-10(11)26)20(30)36-18-9-5-13-33-7-23(31,19(18)24)14(9)21(35-13)37-22-17(29)16(28)15(27)12(6-25)34-22/h2-4,9,12-19,21-22,25-29,31H,5-7H2,1H3/t9-,12-,13?,14-,15+,16+,17-,18+,19-,21+,22+,23?/m1/s1
SMILES O1[C@H]2OC[C@]3([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[C@H]([C@@H]([C@H]3Cl)OC(=O)c1ccc(c(c1)OC)O)C2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
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