input word = C00034151

Metabolite InformationStructural formula
Name Piceaside G
Formula C40H42O18
Mw 810.23711454
CAS RN 1009835-59-9
C_ID C00034151 ,
InChIKey JYCYRWROYQQHLP-WYRGDEJANA-N
InChICode InChI=1S/C40H42O18/c41-15-29-31(47)33(49)35(51)39(57-29)53-23-8-18(7-21(43)13-23)2-1-17-3-6-27-28(9-17)56-37(19-4-5-25(45)26(46)12-19)38(55-27)20-10-22(44)14-24(11-20)54-40-36(52)34(50)32(48)30(16-42)58-40/h1-14,29-52H,15-16H2/b2-1+/t29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc4c(c3)O[C@H](c3ccc(O)c(O)c3)[C@@H](c3cc(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c3)O4)c2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
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