input word = C00002910

Metabolite InformationStructural formula
Name Casuarinin
Formula C41H28O26
Mw 936.08688107
CAS RN 79786-01-9
C_ID C00002910 ,
InChIKey MMQXBTULXAEKQE-CVBCTKKGNA-N
InChICode InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32-,34+,35+,36-/m0/s1
SMILES [C@H]1([C@H]2[C@@H]3OC(=O)c4c(c(c(c(c4c4c(cc(c(c4O)O)O)C(=O)O2)O)O)O)[C@@H]3O)[C@@H](OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2cc(c(c(c2c2c(c(c(cc2C(=O)O1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCorylus heterophylla Ref.
PlantaeCasuarinaceaeCasuarina sticta Ref.
PlantaeCasuarinaceaeCasuarina stricta Ref.
PlantaeHamamelidaceaeLiquidambar formosana Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMelastomataceaeOsbeckia chinensis Ref.
PlantaeMelastomataceaeTibouchina multiflora Ref.
PlantaeMyrtaceaeEucalyptus viminalis Ref.
PlantaeMyrtaceaeFeijoa sellowiana Ref.
PlantaeMyrtaceaeKunzea ambigua Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeMyrtaceaeSyzygium jambos Ref.
PlantaeRosaceaeCowania mexicana Ref.
PlantaeStachyuraceaeStachyurus praecox Ref.
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OrganismKunzea ambigua
ReferenceKasajima,Phytochem.,69,(2008).3080