input word = C00034145

Metabolite InformationStructural formula
Name Piceaside A
Formula C40H42O18
Mw 810.23711454
CAS RN 1010430-48-4
C_ID C00034145 ,
InChIKey KUGWVJKBPZXTOX-LODIIOLNNA-N
InChICode InChI=1S/C40H42O18/c41-14-28-31(48)33(50)35(52)39(56-28)54-22-6-16(5-20(43)12-22)1-2-17-7-24-30(37(58-38(24)27(47)8-17)18-3-4-25(45)26(46)11-18)19-9-21(44)13-23(10-19)55-40-36(53)34(51)32(49)29(15-42)57-40/h1-13,28-37,39-53H,14-15H2/b2-1+/t28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,39-,40-/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)O)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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