input word = C00058404

Metabolite InformationStructural formula
Name Cinnamrutinose A
Formula C21H30O10
Mw 442.18389718
CAS RN 155179-18-3
C_ID C00058404
InChIKey FCDYWRWZILXNOH-ZPCOIBRGSA-N
InChICode InChI=1S/C21H30O10/c1-11-14(22)16(24)18(26)21(30-11)29-10-13-15(23)17(25)19(27)20(31-13)28-9-5-8-12-6-3-2-4-7-12/h2-8,11,13-27H,9-10H2,1H3/b8-5+/t11-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[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
PlantaeSalicaceaePopulus tremula Ref.
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