input word = C00056303

Metabolite InformationStructural formula
Name Eucalyptal C
Formula C28H36O6
Mw 468.25118888
CAS RN 1000994-08-0
C_ID C00056303
InChIKey LLCSUGKJCVVJBS-LQEBHLGXSA-N
InChICode InChI=1S/C28H36O6/c1-14(2)11-20-21-24(32)18(12-29)23(31)19(13-30)25(21)34-26-22-17(15(3)4)8-7-16(5)28(22,33)10-9-27(20,26)6/h12-14,20,22,26,31-33H,5,7-11H2,1-4,6H3/t20-,22+,26+,27-,28-/m1/s1
SMILES C=C(CC/1)[C@]2(O)CC[C@]3(C)[C@H](CC(C)C)C4=C(O)C(C=O)=C(O)C(C=O)=C4O[C@@]3([H])[C@]2([H])C1=C(C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus globulus Ref.
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