input word = C00031572

Metabolite InformationStructural formula
Name Agavegenin D
(-)-Agavegenin D
Formula C27H48O4
Mw 436.35526002
CAS RN 738584-22-0
C_ID C00031572 ,
InChIKey CKPNTBXMSQRBPI-PKHVJVPWNA-N
InChICode InChI=1S/C27H48O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,28-31H,5-15H2,1-4H3/t16-,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](CC2)[C@H]2[C@](CC1)([C@H]([C@H](C2)O)[C@@H]([C@H](CC[C@@H](CO)C)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
zoom in