input word = C00033306

Metabolite InformationStructural formula
Name Pisumflavonoside II
(-)-Pisumflavonoside II
Formula C48H56O29
Mw 1096.29072583
CAS RN 371113-09-6
C_ID C00033306 ,
InChIKey CSCMWYBIYIPMJK-PTAPCIBGNA-N
InChICode InChI=1S/C48H56O29/c49-12-24-30(57)35(62)39(66)45(71-24)69-19-10-22(55)29-23(11-19)70-41(17-4-7-20(53)21(54)9-17)42(34(29)61)75-47-44(38(65)32(59)25(13-50)72-47)77-48-43(37(64)31(58)26(14-51)73-48)76-46-40(67)36(63)33(60)27(74-46)15-68-28(56)8-3-16-1-5-18(52)6-2-16/h1-11,24-27,30-33,35-40,43-55,57-60,62-67H,12-15H2/b8-3+/t24-,25-,26-,27-,30-,31-,32-,33-,35+,36+,37+,38+,39-,40-,43-,44-,45-,46+,47+,48+/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc(O)c5c4=O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum L. Ref.
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