input word = C00014626

Metabolite InformationStructural formula
Name Thonningianin B
Formula C35H30O17
Mw 722.14829954
CAS RN 271579-12-5
C_ID C00014626 ,
InChIKey UJNCWORGHSATHA-UHFFFAOYNA-N
InChICode InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30+,31-,32+,35-/m0/s1
SMILES c1(c(cc(cc1O)O[C@H]1O[C@@H]2[C@H]([C@@H]([C@@H]1O)O)OC(=O)c1c(c(c(c(c1)O)O)O)c1c(cc(c(c1O)O)O)C(=O)OC2)O)C(=O)CCc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeThonningia sanguinea Ref.
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