input word = C00063128

Metabolite InformationStructural formula
Name 7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C23H22O13
Mw 506.10604079
CAS RN 847366-86-3
C_ID C00063128
InChIKey SCWWMMAIPAUYGU-SDBRSXMQSA-N
InChICode InChI=1S/C23H22O13/c1-8(24)33-7-13-16(27)19(30)21(32)23(36-13)35-12-6-11-14(17(28)15(12)26)18(29)20(31)22(34-11)9-2-4-10(25)5-3-9/h2-6,13,16,19,21,23,25-28,30-32H,7H2,1H3/t13-,16-,19+,21-,23-/m1/s1
SMILES CC(=O)OCC1OC(Oc2cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3c(O)c2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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OrganismRhaponticum carthamoides
Referencehttps://doi.org/10.1021/np0496901

https://doi.org/10.1093/chromsci/46.2.162