input word = C00010731

Metabolite InformationStructural formula
Name Allamandicin
Formula C15H16O7
Mw 308.08960287
CAS RN 51838-83-6
C_ID C00010731 ,
InChIKey RMYLCIMGXGYTTK-OTJFKUBHNA-N
InChICode InChI=1S/C15H16O7/c1-6(16)9-11-15(22-13(9)18)4-3-7-8(12(17)19-2)5-20-14(21-11)10(7)15/h3-7,9-11,14,16H,1-2H3/t6-,7-,9-,10+,11-,14-,15+/m0/s1
SMILES COC(=O)C1=CO[C@H]2OC3[C@H]([C@H](C)O)C(=O)O[C@]34C=C[C@H]1[C@H]24
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAllamanda cathartica Ref.
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