input word = C00047219

Metabolite InformationStructural formula
Name Durumhemiketalolide B
(+)-Durumhemiketalolide B
Formula C22H30O6
Mw 390.20423869
CAS RN 1100359-13-4
C_ID C00047219 ,
InChIKey KMXSIXIXRFATQL-OOIIPBAINA-N
InChICode InChI=1S/C22H30O6/c1-14-7-5-8-15(2)12-22(25)18-11-19(27-20(24)16(18)3)21(28-22,10-6-9-14)13-26-17(4)23/h8-9,18-19,25H,3,5-7,10-13H2,1-2,4H3/b14-9-,15-8+/t18-,19?,21+,22+/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@H]1[C@]1(O)C/C(C)=C/CC/C(C)=CCC[C@@]2(COC(C)=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum durum Ref.
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