input word = C00014062

Metabolite InformationStructural formula
Name Isoorientin 2''-O-arabinoside
Formula C26H28O15
Mw 580.14282023
CAS RN 182951-72-0
C_ID C00014062 ,
InChIKey FGYOJUYXCCFUMF-XEOHYIRONA-N
InChICode InChI=1S/C26H28O15/c27-6-16-20(34)22(36)25(41-26-23(37)19(33)13(32)7-38-26)24(40-16)18-12(31)5-15-17(21(18)35)11(30)4-14(39-15)8-1-2-9(28)10(29)3-8/h1-5,13,16,19-20,22-29,31-37H,6-7H2/t13-,16+,19+,20+,22-,23-,24-,25+,26+/m0/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)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](CO1)O)O)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea triumfetti Ref.
PlantaePoaceaeAvena sativa Ref.
zoom in