input word = C00056301

Metabolite InformationStructural formula
Name Eucalyptal A
Formula C28H36O6
Mw 468.25118888
CAS RN 1000994-06-8
C_ID C00056301
InChIKey HJUVXYVQIXPSJI-ICRWQPCKSA-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/h12-14,17,20,22,26,31-33H,3,5,7-11H2,1-2,4,6H3/t17-,20+,22-,26-,27+,28+/m0/s1
SMILES C=C1[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])[C@H](C(C)=C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus globulus Ref.
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