input word = C00007968

Metabolite InformationStructural formula
Name Calomelanol A
Formula C25H22O6
Mw 418.14163844
CAS RN 137319-44-9
C_ID C00007968 ,
InChIKey NJBYGZXCUVMTGT-UHFFFAOYNA-N
InChICode InChI=1S/C25H22O6/c1-30-17-10-7-15(8-11-17)9-12-19(26)24-21(28)14-20(27)23-18(13-22(29)31-25(23)24)16-5-3-2-4-6-16/h2-8,10-11,14,18,27-28H,9,12-13H2,1H3/t18-/m0/s1
SMILES c1(cc(c(c2c1[C@H](c1ccccc1)CC(=O)O2)C(=O)CCc1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaePityrogramma calomelanos Ref.
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