input word = C00002475

Metabolite InformationStructural formula
Name Heliettin
Formula C19H22O4
Mw 314.15180919
CAS RN 33054-89-6
C_ID C00002475 ,
InChIKey JCDLLLXYAICSQV-UHFFFAOYNA-N
InChICode InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m1/s1
SMILES c12c(cc3c(c1)cc(c(=O)o3)C(C=C)(C)C)O[C@H](C2)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHelietta longifoliata Ref.
PlantaeRutaceaeRuta chalepensis Ref.
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OrganismRuta chalepensis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter35