input word = C00002372

Metabolite InformationStructural formula
Name Carthamone
Formula C21H20O11
Mw 448.10056148
CAS RN 86579-00-2
C_ID C00002372 ,
InChIKey SBAFZBVZGFUKPK-KNIPGEHFNA-N
InChICode InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1
SMILES O=C1C=C(O)C(=O)C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=C1C(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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