input word = C00002926

Metabolite InformationStructural formula
Name Geraniin
Formula C41H28O27
Mw 952.0817957
CAS RN 60976-49-0
C_ID C00002926 ,
InChIKey JQQBXPCJFAKSPG-XEMXSNQRNA-N
InChICode InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30+,32+,33-,39-,41-/m0/s1
SMILES Oc1cc2C(=O)OC[C@H]3[C@@H]4[C@H]([C@@H]([C@@H](O3)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3c5[C@@H]6C(=CC(=O)[C@](C6(O)O)(O)Oc5c(c(c3)O)O)C(=O)O4)OC(=O)c3c(c2c(c1O)O)c(c(c(c3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCercidiphyllaceaeCercidiphyllum spp. Ref.
PlantaeCoriariaceaeCoriaria japonica Ref.
PlantaeElaeocarpaceaeElaeocarpus grandiflorus Ref.
PlantaeErythroxylaceaeErythroxylum coca Ref.
PlantaeEuphorbiaceaeAcalypha hispida Ref.
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
PlantaeEuphorbiaceaeEuphorbia spp. Ref.
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeGeraniaceaeGeranium spp. Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaeSapindaceaeAcer spp. Ref.
--Aceraceae nikoense Ref.
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OrganismAcer spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter45