input word = C00014061

Metabolite InformationStructural formula
Name Isoorientin 2''-O-apiofuranoside
6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C26H28O15
Mw 580.14282023
CAS RN 605671-18-9
C_ID C00014061 ,
InChIKey NOXWKJVYHCKSIY-MBNVVXEANA-N
InChICode InChI=1S/C26H28O15/c27-6-16-19(33)21(35)23(41-25-24(36)26(37,7-28)8-38-25)22(40-16)18-13(32)5-15-17(20(18)34)12(31)4-14(39-15)9-1-2-10(29)11(30)3-9/h1-5,16,19,21-25,27-30,32-37H,6-8H2/t16-,19+,21-,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@@](O)(CO)CO1)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea nobilis Ref.
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