input word = C00064132

Metabolite InformationStructural formula
Name Carthorquinoside B
Formula C48H52O26
Mw 1044.27468184
CAS RN 2035491-86-0
C_ID C00064132
InChIKey XJAGJUAOWNKWPW-CFQZNRHGSA-N
InChICode InChI=1S/C48H52O26/c49-13-22(56)30(57)36(63)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(66)47(70,43(28)68)45-37(64)34(61)31(58)23(14-50)72-45)29-39(74-40)26(21(55)12-6-17-3-9-19(53)10-4-17)42(67)48(71,44(29)69)46-38(65)35(62)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,34-38,40,45-46,49-53,56-65,68-71H,13-15H2/b11-5+,12-6+/t22-,23-,24-,27+,30-,31-,32-,34+,35+,36+,37-,38-,40+,45-,46-,47-,48-/m1/s1
SMILES O=C(C=Cc1ccc(O)cc1)C1=C(O)C(C2C3=C(O)C(O)(C4OC(CO)C(O)C(O)C4O)C(=O)C(C(=O)C=Cc4ccc(O)cc4)=C3OC2C(O)C(O)C(O)CO)=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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