input word = C00049944

Metabolite InformationStructural formula
Name 3-Deacetylcrotepoxide
(+)-3-Deacetylcrotepoxide
Formula C16H16O7
Mw 320.08960287
CAS RN 175979-34-7
C_ID C00049944 ,
InChIKey JTWOJIAZXXXTER-WHPZMECQNA-N
InChICode InChI=1S/C16H16O7/c1-8(17)21-13-10(18)11-12(22-11)14-16(13,23-14)7-20-15(19)9-5-3-2-4-6-9/h2-6,10-14,18H,7H2,1H3/t10-,11-,12-,13+,14-,16+/m1/s1
SMILES [C@@H]12[C@H]([C@@H]([C@]3([C@@H]([C@@H]1O2)O3)COC(=O)c1ccccc1)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeKaempferia rotunda Ref.
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