input word = C00003720

Metabolite InformationStructural formula
Name Neoquassin
Formula C22H30O6
Mw 390.20423869
CAS RN 76-77-7
C_ID C00003720 ,
InChIKey BDQNCUODBJZKIY-NGDRIKABNA-N
InChICode InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12-,13-,15+,16-,19-,21+,22-/m0/s1
SMILES C1(=C[C@@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)O[C@@H](C[C@H]3C(=C(C1=O)OC)C)O)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
PlantaeSimaroubaceaePicrasma spp. Ref.
PlantaeSimaroubaceaeQuassia amara Ref.
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