input word = C00048696

Metabolite InformationStructural formula
Name Durumolide B
(+)-Durumolide B
Formula C22H30O5
Mw 374.20932407
CAS RN 1065642-10-5
C_ID C00048696 ,
InChIKey YTTIJMUWWAOHLU-PUYDEZKCNA-N
InChICode InChI=1S/C22H30O5/c1-14-7-5-9-15(2)20(24)21-19(16(3)22(25)27-21)12-11-18(10-6-8-14)13-26-17(4)23/h8-9,11,19-21,24H,3,5-7,10,12-13H2,1-2,4H3/b14-8-,15-9+,18-11-/t19-,20-,21-/m1/s1
SMILES C\1=C(\CC/C=C(\[C@H]([C@H]2[C@H](C/C=C(/CC1)\COC(=O)C)C(=C)C(=O)O2)O)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum durum Ref.
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