input word = C00014590

Metabolite InformationStructural formula
Name Tinctormine
Formula C27H31NO14
Mw 593.17445471
CAS RN 149475-43-4
C_ID C00014590 ,
InChIKey SWPZRXBZBMWKJC-LCYJIBRENA-N
InChICode InChI=1S/C27H31NO14/c29-8-13-20(35)22(37)18(28-13)19(34)12-7-15(33)17(14(32)6-3-10-1-4-11(31)5-2-10)25(40)27(12,41)26-24(39)23(38)21(36)16(9-30)42-26/h1-7,13,16,20-24,26,28-31,34-41H,8-9H2/b6-3+,19-18-/t13-,16-,20-,21+,22-,23+,24-,26-,27-/m1/s1
SMILES C1(=CC(=O)C(=C([C@]1([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)C(=O)/C=C/c1ccc(cc1)O)/C(=C\1/N[C@@H]([C@H]([C@@H]1O)O)CO)/O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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