input word = C00055901

Metabolite InformationStructural formula
Name Gratiogenin
Formula C30H48O4
Mw 472.35526002
CAS RN 7067-16-5
C_ID C00055901
InChIKey DJFUSGZOFOKWFY-NCJQTJLOSA-N
InChICode InChI=1S/C30H48O4/c1-25(2)18-9-11-21-27(5)15-13-20(29(7)16-14-24(34-29)26(3,4)33)28(27,6)17-23(32)30(21,8)19(18)10-12-22(25)31/h9,19-22,24,31,33H,10-17H2,1-8H3/t19?,20-,21-,22-,24-,27-,28+,29-,30-/m0/s1
SMILES CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]4CC=C5C(CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeGratiola officinalis Ref.
zoom in