input word = C00034150

Metabolite InformationStructural formula
Name Piceaside F
Formula C41H44O18
Mw 824.2527646
CAS RN 1010430-53-1
C_ID C00034150 ,
InChIKey PMHWRMWOQIKGCI-GLHJUMNSNA-N
InChICode InChI=1S/C41H44O18/c1-53-28-13-20(5-6-26(28)46)38-39(21-11-23(45)15-25(12-21)55-41-37(52)35(50)33(48)31(17-43)59-41)56-27-7-4-18(10-29(27)57-38)2-3-19-8-22(44)14-24(9-19)54-40-36(51)34(49)32(47)30(16-42)58-40/h2-15,30-52H,16-17H2,1H3/b3-2+/t30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-/m1/s1
SMILES c1c(ccc2c1O[C@H]([C@H](c1cc(cc(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O2)c1ccc(c(c1)OC)O)/C=C/c1cc(cc(c1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
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OrganismPicea abies
ReferenceLi,Phytochem.,69,(2008),772