input word = C00045502

Metabolite InformationStructural formula
Name 10-Acetoxy-1-homovaltrate hydrin
(+)-10-Acetoxy-1-homovaltrate hydrin
Formula C25H36O10
Mw 496.23084737
CAS RN 480998-97-8
C_ID C00045502 ,
InChIKey VJPHRAFHYZGASA-RRCMRMCZNA-N
InChICode InChI=1S/C25H36O10/c1-7-15(4)9-22(29)35-24-23-19(18(12-32-24)11-31-16(5)26)10-20(34-21(28)8-14(2)3)25(23,30)13-33-17(6)27/h10,12,14-15,20,23-24,30H,7-9,11,13H2,1-6H3/t15-,20+,23-,24+,25-/m1/s1
SMILES C1=C(C2=C[C@@H]([C@@]([C@H]2[C@@H](O1)OC(=O)C[C@H](C)CC)(COC(=O)C)O)OC(=O)CC(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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