input word = C00058437

Metabolite InformationStructural formula
Name Coriariin J
Formula C48H32O30
Mw 1088.09783969
CAS RN 147899-44-3
C_ID C00058437
InChIKey TXAJSAGDWBNKRX-UHFFFAOYSA-N
InChICode InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)57)42(65)76-40-39-26(10-71-45(68)14-7-21(53)31(59)34(62)27(14)28-15(46(69)75-39)8-22(54)32(60)35(28)63)73-48(41(40)77-43(66)12-3-19(51)30(58)20(52)4-12)78-44(67)13-5-24(56)38-25(6-13)72-37-16(47(70)74-38)9-23(55)33(61)36(37)64/h1-9,26,39-41,48-64H,10H2
SMILES O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c2c(c1)Oc1c(cc(O)c(O)c1O)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCoriariaceaeCoriaria japonica Ref.
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