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 CC1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(O)cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc34)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeFagonia arabica Ref.
PlantaeZygophyllaceaeFagonia taeckholmiana Ref.
PlantaeZygophyllaceaeFagonia thebaica Ref.
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