input word = C00028148

Metabolite InformationStructural formula
Name Delafrine
Formula C27H45NO3
Mw 431.33994431
CAS RN 119766-89-1
C_ID C00028148 ,
InChIKey DRFSPDBMXZHMAP-JGKSPFCJNA-N
InChICode InChI=1S/C27H45NO3/c1-14-4-5-23-15(2)26-20(13-28(23)12-14)17-9-21-19(18(17)10-25(26)31)11-24(30)22-8-16(29)6-7-27(21,22)3/h14-26,29-31H,4-13H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21-,22+,23-,24+,25-,26+,27+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](C[C@H]2O)[C@@H]2[C@@H](C1)[C@H]1[C@H]([C@H](C2)O)[C@H]([C@H]2N(C1)C[C@H](CC2)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeFritillaria delavayi Ref.
zoom in