input word = C00047906

Metabolite InformationStructural formula
Name Gracilin K
(+)-Gracilin K
Formula C21H28O8
Mw 408.17841787
CAS RN 1174022-26-4
C_ID C00047906 ,
InChIKey GOSUIVNRFQNSRC-KZQFSHBQNA-N
InChICode InChI=1S/C21H28O8/c1-10(22)25-16-15-14-13(8-12-6-5-7-21(3,4)9-12)17(24)27-18(14)28-19(15)29-20(16)26-11(2)23/h8,12,14-16,18-20H,5-7,9H2,1-4H3/t12-,14+,15+,16+,18-,19+,20+/m1/s1
SMILES CC(=O)O[C@H]1O[C@H]2O[C@H]3OC(=O)/C(=CC4CCCC(C)(C)C4)[C@H]3[C@H]2[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeSpongionella sp. Ref.
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