input word = C00006151

Metabolite InformationStructural formula
Name Isopyrenin
6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
Formula C23H24O12
Mw 492.12677623
CAS RN 61252-85-5
C_ID C00006151 ,
InChIKey UERIKSDFHRCLRS-KZYPKNNTNA-N
InChICode InChI=1S/C23H24O12/c1-32-13-3-8(4-14(33-2)18(13)27)11-5-9(25)16-12(34-11)6-10(26)17(20(16)29)23-22(31)21(30)19(28)15(7-24)35-23/h3-6,15,19,21-24,26-31H,7H2,1-2H3/t15-,19+,21-,22+,23-/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)cc3o2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana argentea Ref.
PlantaeGentianaceaeGentiana pyrenaica Ref.
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