input word = C00019957

Metabolite InformationStructural formula
Name 5-Methoxy-8-O-beta-D-glucosyloxy-psoralen
Formula C18H18O10
Mw 394.0899968
CAS RN 115356-06-4
C_ID C00019957 ,
InChIKey BPZBSASYSWKXFS-FJARZEBZNA-N
InChICode InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3/t9-,11-,12+,13-,18+/m1/s1
SMILES c12c(c(c3c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(=O)cc3)OC)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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