input word = C00054086

Metabolite InformationStructural formula
Name Aesculetin 7-rutinoside
Formula C21H26O13
Mw 486.13734092
CAS RN 167782-21-0
C_ID C00054086
InChIKey PQTLOQWHUISKOP-AHFMCGDASA-N
InChICode InChI=1S/C21H26O13/c1-7-14(24)16(26)18(28)20(31-7)30-6-12-15(25)17(27)19(29)21(34-12)33-11-5-10-8(4-9(11)22)2-3-13(23)32-10/h2-5,7,12,14-22,24-29H,6H2,1H3/t7-,12+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4oc(=O)ccc4cc3O)[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
PlantaeMoraceaeMorus alba Ref.
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