input word = C00047463

Metabolite InformationStructural formula
Name IVHD-valtrate
Isovaleroxyhydroxydihydrovaltrate
Isovaleroxy-hydroxy dihydrovaltrate
Formula C27H40O11
Mw 540.25706212
CAS RN 28325-56-6
C_ID C00047463 ,
InChIKey QPMVBTMUWDUUTJ-BOJOHRILNA-N
InChICode InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@@]1([C@H](C2)OC(=O)C)OC1)O)COC(=O)[C@H](OC(=O)CC(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCnidium monnieri Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
zoom in