input word = C00056112

Metabolite InformationStructural formula
Name Schomburgkianone E
Formula C43H58O7
Mw 686.41825421
CAS RN 1960467-77-9
C_ID C00056112
InChIKey BQUWJJBWDLHORP-OVQCCVKASA-N
InChICode InChI=1S/C43H58O7/c1-26(2)12-11-13-29(7)14-16-31-25-42(22-18-27(3)4)37(47)35(36(46)30-15-17-32(44)33(45)24-30)38-43(39(42)48,23-19-28(5)6)41(31,10)21-20-34(50-38)40(8,9)49/h12,14-15,17-19,24,31,34,44-45,49H,11,13,16,20-23,25H2,1-10H3/b29-14+/t31-,34-,41+,42+,43-/m1/s1
SMILES CC(C)(O)[C@H](O1)CC[C@]([C@H](C/C=C(C)/CC/C=C(C)/C)C2)(C)[C@]3(C/C=C(C)/C)C1=C(C(C4=CC(O)=C(O)C=C4)=O)C([C@@]2(C/C=C(C)/C)C3=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia schomburgkiana Ref.
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