input word = C00014273

Metabolite InformationStructural formula
Name Anastatin B
(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one
Formula C21H14O7
Mw 378.0739528
CAS RN 571186-33-9
C_ID C00014273 ,
InChIKey ZXWMKYBQWBZFAK-XISACWJONA-N
InChICode InChI=1S/C21H14O7/c22-10-3-1-9(2-4-10)16-7-14(25)20-15(26)8-18-19(21(20)28-16)11-5-12(23)13(24)6-17(11)27-18/h1-6,8,16,22-24,26H,7H2/t16-/m0/s1
SMILES O=C1C[C@@H](c2ccc(O)cc2)Oc2c1c(O)cc1oc3cc(O)c(O)cc3c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeAnastatica hierochuntica Ref.
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OrganismAnastatica hierochuntica
ReferenceYoshikawa,Bioorg.Med.Chem.Lett.,13,(2003),1045