input word = C00045855

Metabolite InformationStructural formula
Name Dihomovaltrate
Formula C24H34O8
Mw 450.22536806
CAS RN 96681-65-1
C_ID C00045855 ,
InChIKey SHHTYJYZTILDRK-ABJPEXPPNA-N
InChICode InChI=1S/C24H34O8/c1-6-14(3)8-20(26)31-19-10-18-17(11-28-16(5)25)12-29-23(22(18)24(19)13-30-24)32-21(27)9-15(4)7-2/h10,12,14-15,19,22-23H,6-9,11,13H2,1-5H3/t14-,15-,19+,22-,23+,24-/m1/s1
SMILES O1C=C(C2=C[C@@H]([C@@]3([C@H]2[C@@H]1OC(=O)C[C@@H](CC)C)CO3)OC(=O)C[C@H](C)CC)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
zoom in