input word = C00013617

Metabolite InformationStructural formula
Name Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]
Chamaemeloside
7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H28O14
Mw 576.14790561
CAS RN 173356-77-9
C_ID C00013617 ,
InChIKey WWGLAVUKYJELNJ-HYCKFKQSNA-N
InChICode InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19-,23-,24+,25-,26-,27+/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C[C@](O)(C)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChamaemelum nobile Ref.
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