input word = C00002909

Metabolite InformationStructural formula
Name Casuarictin
Formula C41H28O26
Mw 936.08688107
CAS RN 79786-00-8
C_ID C00002909 ,
InChIKey SWRFKGRMQVLMKA-XKEMDUPBNA-N
InChICode InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1
SMILES [C@H]12[C@H]3[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(c1c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCorylus heterophylla Ref.
PlantaeCasuarinaceaeCasuarina sticta Ref.
PlantaeCasuarinaceaeCasuarina stricta Ref.
PlantaeFagaceaeQuercus spp. Ref.
PlantaeMelastomataceaeBredia tuberuculata Ref.
PlantaeMelastomataceaeHeterocentron roseum Ref.
PlantaeMelastomataceaeMonochaetum malabathuricum Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
PlantaeMelastomataceaeMonochaetum normale Ref.
PlantaeMelastomataceaeTibouchina multiflora Ref.
PlantaeMelastomataceaeTibouchina semidecandra Ref.
PlantaeMyrtaceaeEucalyptus viminalis Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeMyrtaceaeSyzygium aromaticum Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeStachyuraceaeStachyurus praecox Ref.
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OrganismMonochaetum malabathuricum
ReferenceYoshida,Phytochem.,66,(2005),1972