input word = C00047218

Metabolite InformationStructural formula
Name Durumhemiketalolide A
(+)-Durumhemiketalolide A
Formula C20H28O5
Mw 348.193674
CAS RN 1100359-10-1
C_ID C00047218 ,
InChIKey PNLRNCZZDLSFIR-RSDPSRFINA-N
InChICode InChI=1S/C20H28O5/c1-13-6-4-7-14(2)11-20(23)16-10-17(24-18(22)15(16)3)19(12-21,25-20)9-5-8-13/h7-8,16-17,21,23H,3-6,9-12H2,1-2H3/b13-8-,14-7+/t16-,17-,19+,20+/m1/s1
SMILES C1(=O)C(=C)[C@@H]2[C@]3(O[C@@]([C@H](O1)C2)(CC/C=C(\CC/C=C(\C)/C3)/C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum durum Ref.
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