input word = C00047905

Metabolite InformationStructural formula
Name Gracilin J
(+)-Gracilin J
Formula C24H32O10
Mw 480.19954724
CAS RN 1174022-25-3
C_ID C00047905 ,
InChIKey NMUUJHGEYJKFAT-IYPRBWNFNA-N
InChICode InChI=1S/C24H32O10/c1-12(25)29-18-17-16-15(7-10-24(34-14(3)27)9-6-8-23(4,5)11-24)19(28)31-20(16)32-21(17)33-22(18)30-13(2)26/h7,16-18,20-22H,6,8-11H2,1-5H3/b15-7-/t16-,17-,18-,20+,21-,22-,24+/m0/s1
SMILES CC(=O)O[C@H]1O[C@H]2O[C@H]3OC(=O)/C(=CCC4(OC(C)=O)CCCC(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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