input word = C00019864

Metabolite InformationStructural formula
Name 5-(3,4-Epoxy-2,7-dimethyl-6,7-octenoyl)psoralen
Formula C21H20O6
Mw 368.12598837
CAS RN 139934-61-5
C_ID C00019864 ,
InChIKey HNYIYHULGLPHKE-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O6/c1-11(2)4-6-15-19(26-15)12(3)21(23)27-20-13-5-7-18(22)25-17(13)10-16-14(20)8-9-24-16/h4-5,7-10,12,15,19H,6H2,1-3H3/t12-,15-,19-/m1/s1
SMILES c12c(cc3c(c1OC(=O)[C@@H]([C@@H]1[C@@H](CC=C(C)C)O1)C)ccc(=O)o3)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeDorstenia contrajerva Ref.
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