input word = C00005350

Metabolite InformationStructural formula
Name Herbacetin 8-rutinoside
Formula C27H30O16
Mw 610.15338491
CAS RN 106009-63-6
C_ID C00005350 ,
InChIKey WLDJEBUQUVPSJK-ONMPXQNPNA-N
InChICode InChI=1S/C27H30O16/c1-8-15(31)18(34)21(37)26(40-8)39-7-13-16(32)19(35)22(38)27(41-13)43-24-12(30)6-11(29)14-17(33)20(36)23(42-25(14)24)9-2-4-10(28)5-3-9/h2-6,8,13,15-16,18-19,21-22,26-32,34-38H,7H2,1H3/t8-,13+,15+,16-,18+,19-,21-,22-,26-,27+/m1/s1
SMILES c1(cc(c2c(c1O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)oc(c(c2=O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeFagonia arabica Ref.
PlantaeZygophyllaceaeFagonia taeckholmiana Ref.
PlantaeZygophyllaceaeFagonia thebaica Ref.
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