input word = C00032196

Metabolite InformationStructural formula
Name Stachyurin
Formula C41H28O26
Mw 936.08688107
CAS RN 81739-27-7
C_ID C00032196 ,
InChIKey MMQXBTULXAEKQE-UHFFFAOYNA-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+/m1/s1
SMILES O1[C@@H]([C@@H](COC(=O)c2c(c3c(C1=O)cc(c(c3O)O)O)c(c(c(c2)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)[C@@H]1OC(=O)c2c(c3c(c(c(c4[C@H]([C@@H]1OC(=O)c34)O)O)O)O)c(c(c(c2)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCasuarinaceaeCasuarina sticta Ref.
PlantaeFagaceaeCastanea mollissima Ref.
PlantaeFagaceaeCastanea sativa Ref.
PlantaeMelastomataceaeTibouchina multiflora Ref.
PlantaeRosaceaeCowania mexicana Ref.
PlantaeRosaceaeRosa roxburghii Ref.
PlantaeStachyuraceaeStachyurus praecox Sieb.et Zucc. Ref.
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