input word = C00029763

Metabolite InformationStructural formula
Name Aurapten
Auraptene
Formula C19H22O3
Mw 298.15689457
CAS RN 495-02-3
C_ID C00029763 ,
InChIKey RSDDHGSKLOSQFK-RVDMUPIBSA-N
InChICode InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
SMILES c12c(ccc(=O)o1)ccc(c2)OC/C=C(\C)/CCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula szowitsiana Ref.
PlantaeRutaceaeAegle marmelos Ref.
PlantaeRutaceaeAtalantia monophylla Ref.
PlantaeRutaceaeBoronella koniambiensis Ref.
PlantaeRutaceaeCitrus aurantium Ref.
PlantaeRutaceaeCitrus bergamia Ref.
PlantaeRutaceaeCitrus clementina Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeDictamnus albus L. Ref.
PlantaeRutaceaePoncirus trifoliata Ref.
PlantaeRutaceaeSeverinia buxifolia Ref.
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