input word = C00032665

Metabolite InformationStructural formula
Name 5-O-(3-Chloro-2-hydroxy-3-methylbutyl)-8-methoxypsoralen
Formula C17H17ClO6
Mw 352.07136599
CAS RN 402829-68-9
C_ID C00032665 ,
InChIKey FLTPZMNZFNPZAZ-UHFFFAOYNA-N
InChICode InChI=1S/C17H17ClO6/c1-17(2,18)11(19)8-23-13-9-4-5-12(20)24-15(9)16(21-3)14-10(13)6-7-22-14/h4-7,11,19H,8H2,1-3H3/t11-/m0/s1
SMILES c12c(c(c3c(c1OC[C@H](O)C(Cl)(C)C)ccc(=O)o3)OC)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeNiphogeton ternata Ref.
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