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 O=C1OCC2OC(Oc3cc(O)c(C(=O)CCc4ccccc4)c(O)c3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeThonningia sanguinea Ref.
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OrganismThonningia sanguinea
ReferenceOhtani,J.Nat.Prod.,63,(2000),676