input word = C00008105

Metabolite InformationStructural formula
Name Mulberrofuran U
Formula C39H36O9
Mw 648.23593275
CAS RN 152551-91-2
C_ID C00008105 ,
InChIKey TZOIGLRIMJUSFR-JTGSZRTENA-N
InChICode InChI=1S/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
SMILES CC(C)=CCc1c(O)ccc2cc(-c3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus insignis Ref.
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OrganismMorus insignis
ReferenceBasnet,Chem. Pharm. Bull.,41,(1993),1238