input word = C00024211

Metabolite InformationStructural formula
Name Davallialactone
Formula C25H20O9
Mw 464.11073224
CAS RN 133360-41-5
C_ID C00024211 ,
InChIKey KYFXISLAEBFZFO-QYZUBESVNA-N
InChICode InChI=1S/C25H20O9/c1-12-8-20(30)22(24(33-12)14-4-7-17(27)19(29)10-14)23-21(31)11-15(34-25(23)32)5-2-13-3-6-16(26)18(28)9-13/h2-11,22,24,26-29,31H,1H3/b5-2+/t22-,24-/m1/s1
SMILES C1(=CC(=O)[C@@H]([C@H](O1)c1cc(c(cc1)O)O)c1c(=O)oc(cc1O)/C=C/c1cc(c(cc1)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia mariesii MOORE Ref.
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