input word = C00034146

Metabolite InformationStructural formula
Name Piceaside B
Formula C40H42O18
Mw 810.23711454
CAS RN 1010430-49-5
C_ID C00034146 ,
InChIKey KUGWVJKBPZXTOX-AJDFYJKQNA-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 OC[C@H]1O[C@@H](Oc2cc(O)cc([C@H]3c4cc(/C=C/c5cc(O)cc(OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5)cc(O)c4O[C@@H]3c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
zoom in