input word = C00004997

Metabolite InformationStructural formula
Name Topazolin hydrate
5,7-Dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
Formula C21H22O7
Mw 386.13655306
CAS RN 109605-84-7
C_ID C00004997 ,
InChIKey KEKIPSWUQGMGCC-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O7/c1-21(2,26)9-8-13-14(23)10-15-16(17(13)24)18(25)20(27-3)19(28-15)11-4-6-12(22)7-5-11/h4-7,10,22-24,26H,8-9H2,1-3H3
SMILES COc1c(-c2ccc(O)cc2)oc2cc(O)c(CCC(C)(C)O)c(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus luteus Ref.
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