input word = C00006753

Metabolite InformationStructural formula
Name Apigeninidin 5-(5''-caffeylarabinoside)
Formula C29H25O11
Mw 549.13968664
CAS RN 131400-98-1
C_ID C00006753 ,
InChIKey BBZCRSFPHPHYKT-IWQROFHENA-O
InChICode InChI=1S/C29H24O11/c30-17-5-3-16(4-6-17)22-9-7-19-23(38-22)12-18(31)13-24(19)39-29-28(36)27(35)25(40-29)14-37-26(34)10-2-15-1-8-20(32)21(33)11-15/h1-13,25,27-29,35-36H,14H2,(H3-,30,31,32,33,34)/p+1/t25-,27+,28+,29-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(cc2)c1ccc(cc1)O)O[C@H]1[C@H]([C@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSorghum bicolor Ref.
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