input word = C00006112

Metabolite InformationStructural formula
Name Aervanone
(2S)-8-beta-D-Galactopyranosyl-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H22O9
Mw 418.1263823
CAS RN 75775-37-0
C_ID C00006112 ,
InChIKey WSJDTGQWBASAKN-ADUUFOGDNA-N
InChICode InChI=1S/C21H22O9/c22-8-15-17(26)18(27)19(28)21(30-15)16-12(24)6-5-11-13(25)7-14(29-20(11)16)9-1-3-10(23)4-2-9/h1-6,14-15,17-19,21-24,26-28H,7-8H2/t14-,15-,17-,18-,19+,21-/m0/s1
SMILES O=C1C[C@@H](c2ccc(O)cc2)Oc2c1ccc(O)c2[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAerva persica Ref.
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