input word = C00009097

Metabolite InformationStructural formula
Name Arecatamnin A1
[Epicatechin-(4beta->8)]2-catechin
Formula C45H38O18
Mw 866.20581441
CAS RN 79813-67-5
C_ID C00009097 ,
InChIKey MOJZMWJRUKIQGL-NTYSFNGONA-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.
PlantaeIlliciaceaeIllicium anisatum Ref.
PlantaeLauraceaeCinnamomum sieboldii Ref.
PlantaePalmaeAreca catechu Ref.
PlantaePinaceaePinus taeda Ref.
PlantaePinaceaePseudotsuga menziesii Ref.
PlantaePolygonaceaeRumex acetosa Ref.
PlantaeSalicaceaeSalix sieboldiana Ref.
PlantaeVitaceaeVitis vinifera Ref.
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