input word = C00003726

Metabolite InformationStructural formula
Name Nigakilactone D
Quassin
Formula C22H28O6
Mw 388.18858863
CAS RN 76-78-8
C_ID C00003726 ,
InChIKey IOSXSVZRTUWBHC-SHDPMFNJNA-N
InChICode InChI=1S/C22H28O6/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/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12-,13-,15+,19-,21+,22-/m0/s1
SMILES C1(=C[C@@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)OC(=O)C[C@H]3C(=C(C1=O)OC)C)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus aitissima Ref.
PlantaeSimaroubaceaePicrasma ailanthoides Ref.
PlantaeSimaroubaceaePicrasma excelsa Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
PlantaeSimaroubaceaePicrasma spp. Ref.
PlantaeSimaroubaceaeQuassia amara Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Surinam quassia Ref.
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