input word = C00042251

Metabolite InformationStructural formula
Name Atalantolide
Formula C27H32O8
Mw 484.209718
CAS RN 55169-29-4
C_ID C00042251 ,
InChIKey RIVWJURWTHLRFT-KUEOXCDNNA-N
InChICode InChI=1S/C27H32O8/c1-14(2)18-19(29)20(30)26(5)16(24(18,3)10-8-17(28)32-6)7-11-25(4)21(15-9-12-33-13-15)34-23(31)22-27(25,26)35-22/h8-10,12-13,16,20-22,30H,7,11H2,1-6H3/b10-8-/t16-,20+,21+,22-,24+,25+,26+,27-/m1/s1
SMILES COC(=O)/C=C[C@@]1(C)C(=C(C)C)C(=O)[C@H](O)[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAtalantia macrophylla Ref.
PlantaeRutaceaeSeverinia buxifolia Ref.
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