input word = C00006339

Metabolite InformationStructural formula
Name Carthamin
Formula C43H42O22
Mw 910.21677303
CAS RN 36338-96-2
C_ID C00006339 ,
InChIKey WLYGSPLCNKYESI-PBEMLDSGNA-N
InChICode InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25+,30+,31+,32+,33-,34-,35+,40-,41+,42-,43+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)([C@@H]2OC(CO)[C@@H](O)C(O)C2O)C(=O)/C(=C\C2=C(O)C(O)([C@H]3O[C@@H](CO)[C@@H](O)C(O)C3O)C(O)=C(C(=O)/C=C/c3ccc(O)cc3)C2=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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