input word = C00027689

Metabolite InformationStructural formula
Name 14-O-benzoylperegrine
Formula C33H45NO7
Mw 567.3196028
CAS RN 167559-23-1
C_ID C00027689 ,
InChIKey LSOJZRZHOZOMMR-UHFFFAOYNA-N
InChICode InChI=1S/C33H45NO7/c1-7-34-17-31(3)14-13-23(38-5)33-21-15-20-22(37-4)16-32(39-6,25(29(33)34)27(28(31)33)40-18(2)35)24(21)26(20)41-30(36)19-11-9-8-10-12-19/h8-12,20-29H,7,13-17H2,1-6H3/t20-,21-,22-,23-,24-,25+,26+,27-,28-,29-,31+,32-,33+/m0/s1
SMILES N1(CC)C[C@]2(CC[C@@H]([C@@]34[C@@H]1[C@@H]([C@@H]([C@@H]23)OC(=O)C)[C@]1([C@H]2[C@@H]4C[C@@H]([C@H](C1)OC)[C@H]2OC(=O)c1ccccc1)OC)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium munzianum Kit Tan Ref.
zoom in