input word = C00014265

Metabolite InformationStructural formula
Name Alopecurone A
Alopecurone I
Formula C39H38O9
Mw 650.25158281
CAS RN 162558-89-6
C_ID C00014265 ,
InChIKey UVQKYQGWGMUDAI-VZEMOTGHNA-N
InChICode InChI=1S/C39H38O9/c1-19(2)5-6-22(20(3)4)15-29-38-34(31(45)18-32(47-38)28-12-11-25(41)17-30(28)44)36(46)35-33(23-13-26(42)16-27(43)14-23)37(48-39(29)35)21-7-9-24(40)10-8-21/h5,7-14,16-17,22,32-33,37,40-44,46H,3,6,15,18H2,1-2,4H3/t22-,32+,33+,37-/m1/s1
SMILES C=C(C)[C@H](CC=C(C)C)Cc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)[C@H]3c1cc(O)cc(O)c1)C(=O)C[C@@H](c1ccc(O)cc1O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora alopecuroides Ref.
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OrganismSophora alopecuroides
ReferenceIinuma,Phytochem.,38,(1995),519