input word = C00056109

Metabolite InformationStructural formula
Name Schomburgkianone B
Formula C43H58O7
Mw 686.41825421
CAS RN 1960467-74-6
C_ID C00056109
InChIKey LIVJNTPXMDOOAP-AFXBHWMISA-N
InChICode InChI=1S/C43H58O7/c1-26(2)12-11-21-41(10)32(16-13-30(9)14-17-33(44)29(7)8)25-42(22-19-27(3)4)38(48)36(37(47)31-15-18-34(45)35(46)24-31)39(49)43(41,40(42)50)23-20-28(5)6/h12-13,15,18-20,24,32-33,44-46,48H,7,11,14,16-17,21-23,25H2,1-6,8-10H3/b30-13+/t32-,33+,41+,42+,43-/m1/s1
SMILES C=C(C)[C@@H](O)CC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia schomburgkiana Ref.
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