input word = C00042923

Metabolite InformationStructural formula
Name Sacacarin
iso-Sacacarin
Formula C20H24O4
Mw 328.16745925
CAS RN 216005-69-5
C_ID C00042923 ,
InChIKey JCWJBKPXVPKYIZ-KUBIDJKONA-N
InChICode InChI=1S/C20H24O4/c1-13-3-6-19-12-24-18(22)20(13,7-4-15-5-8-23-11-15)17(19)10-16(21)9-14(19)2/h5,8-9,11,13,17H,3-4,6-7,10,12H2,1-2H3/t13-,17+,19-,20-/m1/s1
SMILES CC1=CC(=O)C[C@H]2[C@@]13CC[C@@H](C)[C@@]2(CCc1ccoc1)C(=O)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton cajucara Ref.
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