input word = C00008104

Metabolite InformationStructural formula
Name Mulberrofuran T
Formula C44H44O9
Mw 716.298533
CAS RN 125882-66-8
C_ID C00008104 ,
InChIKey XMXZFZDVDCIFKB-KYEREFSINA-N
InChICode InChI=1S/C44H44O9/c1-22(2)6-10-29-34(46)15-13-31(42(29)51)43(52)40-32(28-12-9-27(45)21-36(28)48)16-24(5)17-33(40)41-37(49)18-26(19-38(41)50)39-20-25-8-14-35(47)30(44(25)53-39)11-7-23(3)4/h6-9,12-15,17-21,32-33,40,45-51H,10-11,16H2,1-5H3/t32-,33+,40-/m1/s1
SMILES C1[C@@H]([C@H]([C@H](C=C1C)c1c(cc(cc1O)c1cc2c(o1)c(c(cc2)O)CC=C(C)C)O)C(=O)c1ccc(c(c1O)CC=C(C)C)O)c1c(cc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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