input word = C00060444

Metabolite InformationStructural formula
Name rel-2-[(1R,2S,3S,5R,6R,7S,8S)-2,6-Dihydroxy-4-oxatricyclo[6.1.0.03,5]non-7-yl]-1H-isoindole-1,3(2H)-dione
Formula C16H15NO5
Mw 301.0950226
CAS RN 1800583-95-2
C_ID C00060444
InChIKey ZQKOAHGJZYMINB-YXBZHNMZNA-N
InChICode InChI=1/C16H15NO5/c18-11-9-5-8(9)10(12(19)14-13(11)22-14)17-15(20)6-3-1-2-4-7(6)16(17)21/h1-4,8-14,18-19H,5H2/t8-,9+,10-,11-,12+,13-,14+/s2
SMILES O=C1c2ccccc2C(=O)N1C1C(O)C2OC2C(O)C2CC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCymbopogon citratus Ref.
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OrganismCymbopogon citratus
Referencehttps://doi.org/10.1016/j.foodchem.2016.04.071