input word = C00013643

Metabolite InformationStructural formula
Name 8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside)
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C30H26O13
Mw 594.13734092
CAS RN 219316-01-5
C_ID C00013643 ,
InChIKey RZNNHUSPGXVDFH-KXZUTNEHNA-N
InChICode InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-23(36)40-13-22-25(37)26(38)27(39)30(42-22)43-28-20(35)11-18(33)24-19(34)12-21(41-29(24)28)15-4-8-17(32)9-5-15/h1-12,22,25-27,30-33,35,37-39H,13H2/b10-3+/t22-,25-,26+,27-,30+/m1/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys aegyptiaca Ref.
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OrganismStachys aegyptiaca
ReferenceSharaf,Fitoterapia,69,(1998),355