input word = C00045526

Metabolite InformationStructural formula
Name 1-Homoacevaltrate
Formula C25H34O10
Mw 494.21519731
CAS RN 480998-94-5
C_ID C00045526 ,
InChIKey QJEWSMDVLSEWAR-JZHBZGAYNA-N
InChICode InChI=1S/C25H34O10/c1-7-14(2)8-20(28)34-23-22-18(17(12-31-23)11-30-15(3)26)9-19(25(22)13-32-25)33-21(29)10-24(5,6)35-16(4)27/h9,12,14,19,22-23H,7-8,10-11,13H2,1-6H3/t14-,19-,22+,23-,25+/m0/s1
SMILES O1C=C(C2=C[C@@H]([C@@]3([C@H]2[C@@H]1OC(=O)C[C@@H](C)CC)CO3)OC(=O)CC(C)(OC(=O)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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