input word = C00019883

Metabolite InformationStructural formula
Name Claucavatin A
Hassanidin
Formula C24H28O5
Mw 396.193674
CAS RN 154161-99-6
C_ID C00019883 ,
InChIKey NMVOQBXMPKNNCL-UHFFFAOYSA-N
InChICode InChI=1S/C24H28O5/c1-9-22(3,4)14-11-13-18(26)16-15(25)12-24(7,8)29-20(16)17(23(5,6)10-2)19(13)28-21(14)27/h9-11,26H,1-2,12H2,3-8H3
SMILES C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)CC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
PlantaeRutaceaeClausena excavata Ref.
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OrganismClausena excavata
ReferenceWu,Phytochem.,52,(1999),523