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 O=C1[C@@]2(C)[C@](C[C@](O[C@H](O)C[C@@]3([H])[C@H]4C)([H])[C@]3(C)[C@]2([H])[C@H](O)C4=O)([H])[C@H](C)C=C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeQuassia amara Ref.
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