input word = C00048713

Metabolite InformationStructural formula
Name Fragilide D
(-)-Fragilide D
Formula C31H41ClO12
Mw 640.22865449
CAS RN 1030372-27-0
C_ID C00048713 ,
InChIKey CFWWBCJAJBSZLG-LDSNATQHNA-N
InChICode InChI=1S/C31H41ClO12/c1-15(2)12-22(35)39-13-23(36)43-20-9-8-16(3)24(32)26-31(38,17(4)28(37)44-26)27(42-19(6)34)25-29(20,7)21(41-18(5)33)10-11-30(25)14-40-30/h8-9,15,17,20-21,24-27,38H,3,10-14H2,1-2,4-7H3/b9-8+/t17-,20-,21-,24-,25+,26-,27-,29-,30-,31-/m0/s1
SMILES C1C[C@]2([C@H]3[C@]([C@H]1OC(=O)C)([C@H](/C=C/C(=C)[C@@H]([C@H]1[C@@]([C@H]3OC(=O)C)(O)[C@H](C(=O)O1)C)Cl)OC(=O)COC(=O)CC(C)C)C)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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OrganismJunceella fragilis
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165