input word = C00010723

Metabolite InformationStructural formula
Name Valerosidate
Valerosidatum
Formula C21H34O11
Mw 462.21011193
CAS RN 29505-31-5
C_ID C00010723 ,
InChIKey LANCLZFYVLANQS-CPLUHTDYNA-N
InChICode InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18+,19+,20-,21-/m1/s1
SMILES [C@H]12[C@H]([C@@H](OC=C1CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)OC(=O)CC(C)C)[C@]([C@H](C2)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeCentranthus longiflorus ssp.longiflorus Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansii Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana spp. Ref.
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