input word = C00003180

Metabolite InformationStructural formula
Name Rugosal
Formula C15H22O4
Mw 266.15180919
CAS RN 121387-05-1
C_ID C00003180 ,
InChIKey NTVXLOKDTRVPSZ-OUWKXVRCNA-N
InChICode InChI=1S/C15H22O4/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(17)15(11,14)19-18-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
SMILES [C@@]12([C@@]3([C@H](C=C([C@H](C1)OO3)C=O)O)[C@H](CC2)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa rugosa Ref.
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