input word = C00009089

Metabolite InformationStructural formula
Name Arecatannin B1
Formula C45H38O18
Mw 866.20581441
CAS RN 79763-28-3
C_ID C00009089 ,
InChIKey PBYRKMXDROOXMU-YRHGLQAANA-N
InChICode InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(cc(c2c1O[C@@H]([C@@H]([C@H]2c1c(c2c(cc1O)O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula spp. Ref.
PlantaeCupressaceaeThujopsis dolabrata Ref.
PlantaeIlliciaceaeIllicium anisatum Ref.
PlantaePalmaeAreca catechu Ref.
PlantaePinaceaePinus taeda Ref.
PlantaeSalicaceaeSalix spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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