input word = C00048695

Metabolite InformationStructural formula
Name Durumolide A
(-)-Durumolide A
Formula C22H30O7
Mw 406.19915331
CAS RN 1065642-09-2
C_ID C00048695 ,
InChIKey SBTZVNIBVMVSSU-JUUHTHKFNA-N
InChICode InChI=1S/C22H30O7/c1-12-6-5-9-22(11-27-15(4)23)18(29-22)10-16-14(3)21(26)28-20(16)19(25)13(2)7-8-17(12)24/h6-7,16-20,24-25H,3,5,8-11H2,1-2,4H3/b12-6-,13-7+/t16-,17+,18-,19-,20-,22+/m1/s1
SMILES C\1=C(\[C@H](C/C=C(/[C@H]([C@H]2[C@H](C[C@@H]3[C@@](CC1)(O3)COC(=O)C)C(=C)C(=O)O2)O)\C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum durum Ref.
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