input word = C00055560

Metabolite InformationStructural formula
Name Carthamoside B4
Formula C22H34O13
Mw 506.19994117
CAS RN 1042959-03-4
C_ID C00055560
InChIKey YWOIDBKSAIHBRQ-LLLSVCMTSA-N
InChICode InChI=1S/C22H34O13/c1-9-15(25)17(27)19(29)21(33-9)32-8-14-16(26)18(28)20(30)22(35-14)34-11(7-23)5-10-3-4-12(24)13(6-10)31-2/h3-4,6,9,11,14-30H,5,7-8H2,1-2H3/t9-,11+,14+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1
SMILES COc1cc(C[C@H](CO)O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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