input word = C00047365

Metabolite InformationStructural formula
Name 5-Hydroxydidrovaltrate
Formula C22H32O9
Mw 440.20463262
CAS RN 96889-90-6
C_ID C00047365 ,
InChIKey AOLKDXFBABOMHP-NJHGNUKUNA-N
InChICode InChI=1S/C22H32O9/c1-12(2)6-17(24)27-9-15-10-28-20(31-18(25)7-13(3)4)19-21(15,26)8-16(30-14(5)23)22(19)11-29-22/h10,12-13,16,19-20,26H,6-9,11H2,1-5H3/t16-,19-,20-,21-,22+/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)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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