input word = C00002938

Metabolite InformationStructural formula
Name Tellimagrandin I
Formula C34H26O22
Mw 786.09157252
CAS RN 79786-08-6
C_ID C00002938 ,
InChIKey YKDNTEQLKGYZHT-ULLZYBDGNA-N
InChICode InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34-/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)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
PlantaeCasuarinaceaeCasuarina rigida Ref.
PlantaeCasuarinaceaeCasuarina stricta Ref.
PlantaeFagaceaeQuercus sp. Ref.
PlantaeJuglandaceaeJuglans regia Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrtaceaeEucalyptus viminalis Ref.
PlantaeMyrtaceaeFeijoa sellowiana Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeMyrtaceaeSyzygium aromaticum Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaePaeoniaceaePaeonia albiflora Ref.
PlantaeRosaceaeGeum japonicum Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeSaxifragaceaeTellima grandiflora Ref.
PlantaeSaxifragaceaeTellima grandifolia Ref.
PlantaeStachyuraceaeStachyurus praecox Ref.
PlantaeTheaceaeCamellia japonica Ref.
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