input word = C00049090

Metabolite InformationStructural formula
Name 3-O-Decanoyl-16-O-acetylisoiridogermanal
Formula C42H70O6
Mw 670.51723997
CAS RN 219753-48-7
C_ID C00049090 ,
InChIKey RUGXEKJDFWNRGN-YGTQEESUNA-N
InChICode InChI=1S/C42H70O6/c1-10-11-12-13-14-15-16-24-40(45)47-30-19-23-38-37(35(6)31-43)27-29-42(9,46)41(38,8)28-18-22-34(5)39(48-36(7)44)26-25-33(4)21-17-20-32(2)3/h20,22,25,31,38-39,46H,10-19,21,23-24,26-30H2,1-9H3/b33-25+,34-22+,37-35-/t38-,39+,41-,42-/m0/s1
SMILES [C@@]1([C@@](CC/C(=C(/C=O)\C)/[C@@H]1CCCOC(=O)CCCCCCCCC)(C)O)(CC/C=C(/[C@@H](C/C=C(/CCC=C(C)C)\C)OC(=O)C)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeBelamcanda chinensis Ref.
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