input word = C00014568

Metabolite InformationStructural formula
Name Cathayanon B
Cathayanone B
Formula C40H36O11
Mw 692.22576199
CAS RN 366479-66-5
C_ID C00014568 ,
InChIKey BNQCNJCTHKOBKY-NMHGMLIPNA-N
InChICode InChI=1S/C40H36O11/c1-19(2)12-13-39-27-6-4-5-7-32(27)50-40(39,49)38(48)35-31(46)18-30(45)34(37(35)51-39)26-15-20(3)14-25(23-10-8-21(41)16-28(23)43)33(26)36(47)24-11-9-22(42)17-29(24)44/h4-12,15-18,25-26,33,41-46,49H,13-14H2,1-3H3/t25-,26-,33-,39+,40+/m1/s1
SMILES CC(C)=CC[C@@]12Oc3c(c(O)cc(O)c3[C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)C3C(=O)c3ccc(O)cc3O)C(=O)[C@]1(O)Oc1ccccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus cathayana Ref.
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OrganismMorus cathayana
ReferenceShen,Phytochem.,57,(2001),1231