input word = C00008844

Metabolite InformationStructural formula
Name Catechin 3-O-rutinoside
Formula C27H34O15
Mw 598.18977042
CAS RN 155260-73-4
C_ID C00008844 ,
InChIKey PKKUTJOKYCMKKA-YUJJQLKMNA-N
InChICode InChI=1S/C27H34O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-6,9,17-37H,7-8H2,1H3/t9-,17+,18-,19+,20-,21+,22-,23-,24?,25-,26-,27-/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](O[C@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)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
PlantaeFagaceaeQuercus marilandica Ref.
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