input word = C00054987

Metabolite InformationStructural formula
Name 11-Dihydro-12-norneoquassin
Formula C21H30O6
Mw 378.20423869
CAS RN 112471-03-1
C_ID C00054987
InChIKey ZXEXAUWPQPJYJZ-NUTZWRRFSA-N
InChICode InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14-15,17-18,22,24H,7-8H2,1-5H3/t9-,10-,11+,12+,14-,15+,17-,18+,20-,21+/m1/s1
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@@H](C)C(=O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeQuassia amara Ref.
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