input word = C00004158

Metabolite InformationStructural formula
Name Apigenin 7-allosyl-(1->2)-glucoside
Formula C27H30O15
Mw 594.15847029
CAS RN 113471-88-8
C_ID C00004158 ,
InChIKey QMAISBPLGVOOOA-OTOCJPLMNA-N
InChICode InChI=1S/C27H30O15/c28-8-17-20(33)22(35)24(37)26(40-17)42-25-23(36)21(34)18(9-29)41-27(25)38-12-5-13(31)19-14(32)7-15(39-16(19)6-12)10-1-3-11(30)4-2-10/h1-7,17-18,20-31,33-37H,8-9H2/t17-,18-,20-,21-,22+,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)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis maura Ref.
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