input word = C00040133

Metabolite InformationStructural formula
Name Querciformolide A
(-)-Querciformolide A
Formula C22H32O7
Mw 408.21480338
CAS RN 1071726-89-0
C_ID C00040133 ,
InChIKey JSILRCIAUYHSMM-OXTBYVQQNA-N
InChICode InChI=1S/C22H32O7/c1-13-15-6-9-20(3,28-19(13)26)16(24)7-10-22(5)18(27-14(2)23)8-11-21(4,29-22)17(25)12-15/h15,17-18,25H,1,6-12H2,2-5H3/t15-,17+,18+,20-,21-,22-/m1/s1
SMILES [C@@]12(CC[C@@H](C(=C)C(=O)O1)C[C@@H]([C@@]1(O[C@]([C@H](CC1)OC(=O)C)(C)CCC2=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia querciformis Ref.
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