input word = C00014569

Metabolite InformationStructural formula
Name Multicaulisin
Formula C40H36O11
Mw 692.22576199
CAS RN 286461-76-5
C_ID C00014569 ,
InChIKey IRBDNXPVYAEOSW-DKOPYXCXNA-N
InChICode InChI=1S/C40H36O11/c1-19(2)4-3-5-20-12-27(24-9-6-21(41)14-29(24)44)36(39(49)26-11-8-23(43)16-31(26)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)25-10-7-22(42)15-30(25)45/h4,6-11,13-18,27-28,36,41-47,50H,3,5,12H2,1-2H3/t27-,28-,36-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1c(cc(cc1)O)O)O)[C@H]1[C@@H]([C@H](CC(=C1)CCC=C(C)C)c1ccc(cc1O)O)C(=O)c1c(cc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus multicaulis Ref.
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