input word = C00057123

Metabolite InformationStructural formula
Name Rutaretin 9-rutinoside
Formula C26H34O14
Mw 570.1948558
CAS RN 160845-05-6
C_ID C00057123
InChIKey BXZHQIFYFLLPME-SPWHLEDISA-N
InChICode InChI=1S/C26H34O14/c1-9-15(28)17(30)19(32)24(36-9)35-8-12-16(29)18(31)20(33)25(37-12)40-23-21-10(4-5-14(27)39-21)6-11-7-13(26(2,3)34)38-22(11)23/h4-6,9,12-13,15-20,24-25,28-34H,7-8H2,1-3H3/t9-,12+,13-,15-,16+,17+,18-,19+,20+,24+,25-/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c4c(cc5ccc(=O)oc35)C[C@@H](C(C)(C)O)O4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
zoom in