input word = C00045509

Metabolite InformationStructural formula
Name 11-Homohydroxyldihydrovaltrate
(-)-11-Homohydroxyldihydrovaltrate
Formula C23H34O9
Mw 454.22028269
CAS RN 480998-96-7
C_ID C00045509 ,
InChIKey DAZJNTWSLAFFAO-OXMWPRBBNA-N
InChICode InChI=1S/C23H34O9/c1-6-14(4)8-18(25)28-10-16-11-29-21(32-19(26)7-13(2)3)20-22(16,27)9-17(31-15(5)24)23(20)12-30-23/h11,13-14,17,20-21,27H,6-10,12H2,1-5H3/t14-,17+,20+,21+,22+,23-/m1/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@]1([C@H](C2)OC(=O)C)CO1)O)COC(=O)C[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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OrganismValeriana jatamansi
ReferenceTang,J.Nat.Prod.,65,(2002),1949