input word = C00009325

Metabolite InformationStructural formula
Name Glochiin C1
Formula C48H40O27
Mw 1048.17569608
CAS RN 172617-78-6
C_ID C00009325 ,
InChIKey RYRNUMFSMGLTQX-WXHTXKPPNA-N
InChICode InChI=1S/C48H40O27/c49-18-9-20(50)33(21(51)10-18)35-34-22(52)11-19(12-31(34)72-42(14-1-23(53)36(61)24(54)2-14)43(35)74-46(68)16-5-27(57)38(63)28(58)6-16)71-48-44(75-47(69)17-7-29(59)39(64)30(60)8-17)41(66)40(65)32(73-48)13-70-45(67)15-3-25(55)37(62)26(56)4-15/h1-12,32,35,40-44,48-66H,13H2/t32-,35+,40+,41-,42+,43-,44+,48+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1COC(=O)c1cc(c(c(c1)O)O)O)Oc1cc(c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(cc(cc1O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeGlochidion rubrum Ref.
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