input word = C00002920

Metabolite InformationStructural formula
Name Eugeniin
Formula C41H30O26
Mw 938.10253114
CAS RN 58970-75-5
C_ID C00002920 ,
InChIKey JCGHAEBIBSEQAD-URPSWOSBNA-N
InChICode InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1
SMILES [C@H]12[C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1c1c(c(c(cc1C(=O)O2)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCoriariaceaeCoriaria japonica Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus spp. Ref.
PlantaeFagaceaeQuercus spp. Ref.
PlantaeMyrtaceaeEugenia caryophyllata Ref.
PlantaeMyrtaceaeSyzygium aromaticum Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaeRosaceaeFilipendula ulmaria Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeSaxifragaceaeTellima grandiflora Ref.
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OrganismEugenia caryophyllata
ReferenceChumbalov,T.K.et al.,Khim.Prir.Soedin.,6,(1970),496-497