input word = C00009091

Metabolite InformationStructural formula
Name Procyanidin C2
Formula C45H38O18
Mw 866.20581441
CAS RN 37064-31-6
C_ID C00009091 ,
InChIKey MOJZMWJRUKIQGL-GGFYJIHZNA-N
InChICode InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38+,39+,40+,41-,42-,43-/m1/s1
SMILES c12c([C@H]([C@@H]([C@H](O1)c1ccc(c(c1)O)O)O)c1c3c([C@@H]([C@@H]([C@H](O3)c3ccc(c(c3)O)O)O)c3c4c(C[C@H]([C@H](O4)c4ccc(c(c4)O)O)O)c(cc3O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula spp. Ref.
PlantaePinaceaePinus radiata Ref.
PlantaePoaceaeHordeum vulgare Ref.
PlantaeRosaceaePotentilla viscosa Ref.
PlantaeSalicaceaeSalix caprea Ref.
PlantaeTaxodiaceaeCryptomeria japonica Ref.
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