input word = C00033601

Metabolite InformationStructural formula
Name 8-O-Angeloyl-9-acetylanthemolide B
Formula C22H28O9
Mw 436.17333249
CAS RN 221380-52-5
C_ID C00033601 ,
InChIKey CUWOCEBPPUEJCN-ATVSSMDDNA-N
InChICode InChI=1S/C22H28O9/c1-7-10(2)19(24)30-17-14-11(3)20(25)29-16(14)15-13(8-9-21(15,5)31-27)22(6,26)18(17)28-12(4)23/h7-9,13-18,26-27H,3H2,1-2,4-6H3/b10-7-/t13-,14+,15-,16+,17+,18+,21-,22-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=CC)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis cretica subsp.cretica Ref.
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