input word = C00005599

Metabolite InformationStructural formula
Name Tamarixetin 7-rutinoside
Formula C28H32O16
Mw 624.16903498
CAS RN 14265-53-3
C_ID C00005599 ,
InChIKey FMZXFFXOKZSIMV-QWLUUQNXNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(31)21(34)24(37)27(41-9)40-8-16-19(32)22(35)25(38)28(44-16)42-11-6-13(30)17-15(7-11)43-26(23(36)20(17)33)10-3-4-14(39-2)12(29)5-10/h3-7,9,16,18-19,21-22,24-25,27-32,34-38H,8H2,1-2H3/t9-,16-,18-,19-,21-,22-,24-,25+,27+,28+/m0/s1
SMILES COc1ccc(-c2oc3cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeVerbascum phlomoides Ref.
PlantaeScrophulariaceaeVerbascum thapsiforme Ref.
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