input word = C00011832

Metabolite InformationStructural formula
Name Uvedalin
Formula C23H28O9
Mw 448.17333249
CAS RN 24694-79-9
C_ID C00011832 ,
InChIKey JIEVJXRUYDZFTD-QKMPTDGSNA-N
InChICode InChI=1S/C23H28O9/c1-11-8-7-9-15(21(26)28-6)18(29-14(4)24)19(31-22(27)23(5)13(3)32-23)17-12(2)20(25)30-16(17)10-11/h9-10,13,16-19H,2,7-8H2,1,3-6H3/b11-10-,15-9+/t13-,16-,17-,18+,19+,23-/m1/s1
SMILES [C@@H]12/C=C(\CC/C=C(\[C@@H]([C@H]([C@@H]1C(=C)C(=O)O2)OC(=O)[C@@]1(O[C@@H]1C)C)OC(=O)C)/C(=O)OC)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePolymnia uvedalia Ref.
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