input word = C00014268

Metabolite InformationStructural formula
Name Alopecurone D
Formula C40H40O9
Mw 664.26723288
CAS RN 162558-91-0
C_ID C00014268 ,
InChIKey QXJNTDXKZVNKDH-SANBJTCRNA-N
InChICode InChI=1S/C40H40O9/c1-20(2)6-7-23(21(3)4)16-30-39-35(31(45)19-33(48-39)29-13-12-26(42)18-32(29)47-5)37(46)36-34(24-14-27(43)17-28(44)15-24)38(49-40(30)36)22-8-10-25(41)11-9-22/h6,8-15,17-18,23,33-34,38,41-44,46H,3,7,16,19H2,1-2,4-5H3/t23-,33+,34-,38+/m1/s1
SMILES c12c(O[C@@H](CC1=O)c1c(cc(cc1)O)OC)c(c1c(c2O)[C@H]([C@@H](O1)c1ccc(cc1)O)c1cc(cc(c1)O)O)C[C@@H](CC=C(C)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora alopecuroides Ref.
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