input word = C00056110

Metabolite InformationStructural formula
Name Schomburgkianone C
Formula C43H58O7
Mw 686.41825421
CAS RN 1960467-75-7
C_ID C00056110
InChIKey XWPISVWOAWCUNR-WWIHNKOXSA-N
InChICode InChI=1S/C43H58O7/c1-27(2)13-11-22-41(10)32(17-15-30(7)14-12-21-40(8,9)50)26-42(23-19-28(3)4)37(47)35(36(46)31-16-18-33(44)34(45)25-31)38(48)43(41,39(42)49)24-20-29(5)6/h12-13,15-16,18-21,25,32,44-45,47,50H,11,14,17,22-24,26H2,1-10H3/b21-12+,30-15+/t32-,41+,42+,43-/m1/s1
SMILES O=C1C(C(C2=CC=C(O)C(O)=C2)=O)=C(O)[C@@](C/C=C(C)/C)(C3=O)C[C@@H](C/C=C(C)/C/C=C/C(O)(C)C)[C@@](CC/C=C(C)/C)(C)[C@]13C/C=C(C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia schomburgkiana Ref.
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