input word = C00034147

Metabolite InformationStructural formula
Name Piceaside C
Formula C41H44O18
Mw 824.2527646
CAS RN 1010430-50-8
C_ID C00034147 ,
InChIKey FOHVMOBGAZXASK-YIHDEANFNA-N
InChICode InChI=1S/C41H44O18/c1-54-28-12-19(4-5-26(28)46)38-31(20-10-22(45)14-24(11-20)56-41-37(53)35(51)33(49)30(16-43)58-41)25-8-18(9-27(47)39(25)59-38)3-2-17-6-21(44)13-23(7-17)55-40-36(52)34(50)32(48)29(15-42)57-40/h2-14,29-38,40-53H,15-16H2,1H3/b3-2+/t29-,30?,31-,32-,33-,34+,35+,36-,37-,38+,40-,41-/m1/s1
SMILES c1c(cc2c(c1O)O[C@H]([C@@H]2c1cc(cc(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)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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