input word = C00031374

Metabolite InformationStructural formula
Name Shinjulactone L
Formula C22H30O7
Mw 406.19915331
CAS RN 4283-49-2
C_ID C00031374 ,
InChIKey XLQVKFMTKLRTHY-RHHPIWDCNA-N
InChICode InChI=1S/C22H30O7/c1-9-6-14(24)20(27)22(5)12(9)7-15-21(4)13(8-16(25)29-15)10(2)18(28-11(3)23)17(26)19(21)22/h9-10,12-15,18-19,24H,6-8H2,1-5H3/t9-,10-,12+,13+,14+,15-,18+,19+,21-,22+/m1/s1
SMILES [C@@H]1(C[C@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)OC(=O)C[C@H]3[C@H]([C@@H](C1=O)OC(=O)C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
zoom in