input word = C00056111

Metabolite InformationStructural formula
Name Schomburgkianone D
Formula C38H50O7
Mw 618.35565395
CAS RN 1960467-76-8
C_ID C00056111
InChIKey AJOULZQAINCNKK-FTZCEKAWSA-N
InChICode InChI=1S/C38H50O7/c1-22(2)10-12-26-21-37(18-14-23(3)4)32(42)30(31(41)25-11-13-27(39)28(40)20-25)33-38(34(37)43,19-15-24(5)6)36(26,9)17-16-29(45-33)35(7,8)44/h10-11,13-15,20,26,29,39-40,44H,12,16-19,21H2,1-9H3/t26-,29-,36?,37+,38-/m1/s1
SMILES CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)=C3O[C@@H](C(C)(C)O)CCC1(C)[C@@]3(CC=C(C)C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia schomburgkiana Ref.
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