input word = C00047462

Metabolite InformationStructural formula
Name Isoracemosol
Formula C24H24O6
Mw 408.1572885
CAS RN 247593-03-9
C_ID C00047462 ,
InChIKey XSNRTHHONWPPCD-UHFFFAOYNA-N
InChICode InChI=1S/C24H24O6/c1-4-8-17(25)21-23(29)16(11-18(26)13(2)3)22(28)20-15(12-19(27)30-24(20)21)14-9-6-5-7-10-14/h5-7,9-10,12,18,26,28-29H,2,4,8,11H2,1,3H3/t18-/m1/s1
SMILES c1(c(c(c2c(c1C(=O)CCC)oc(=O)cc2c1ccccc1)O)C[C@H](C(=C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia racemosa Ref.
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