input word = C00048357

Metabolite InformationStructural formula
Name Coccinone E
(-)-Coccinone E
Formula C38H52O8
Mw 636.36621864
CAS RN 1141870-96-3
C_ID C00048357 ,
InChIKey LSEYPIXFPUCVGX-OLCWQPIVNA-N
InChICode InChI=1S/C38H52O8/c1-21(2)11-13-24-19-37-20-25(18-28(41)35(7,8)45)34(5,6)38(33(37)44,16-15-22(3)4)31(43)29(32(37)46-36(24,9)10)30(42)23-12-14-26(39)27(40)17-23/h11-12,14-15,17,24-25,28,39-41,45H,13,16,18-20H2,1-10H3/t24-,25+,28-,37+,38-/m0/s1
SMILES [C@@]12(C([C@@H](C[C@]3(C(=C(C1=O)C(=O)c1ccc(c(c1)O)O)OC([C@H](C3)CC=C(C)C)(C)C)C2=O)C[C@@H](C(C)(C)O)O)(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeMoronobea coccinea Ref.
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