input word = C00011196

Metabolite InformationStructural formula
Name Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside)
Formula C31H34O19
Mw 710.16942891
CAS RN 592522-41-3
C_ID C00011196 ,
InChIKey DQHONSTZNOARKJ-ILTNLBHWNA-N
InChICode InChI=1S/C31H34O19/c32-8-17-22(37)25(40)27(42)29(48-17)21-16(7-15-20(24(21)39)12(34)5-14(47-15)10-1-3-11(33)4-2-10)49-31-28(43)26(41)23(38)18(50-31)9-46-19(36)6-13(35)30(44)45/h1-5,7,13,17-18,22-23,25-29,31-33,35,37-43H,6,8-9H2,(H,44,45)/t13-,17+,18+,22+,23+,25-,26-,27-,28+,29-,31+/m0/s1
SMILES c1cc(ccc1c1oc2c(c(=O)c1)c(c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C[C@H](O)C(=O)O)O)O)O)[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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OrganismDianthus caryophyllus
ReferenceFukui,Phytochem.,63,(2003),15