input word = C00047407

Metabolite InformationStructural formula
Name Brevipolide E
(+)-Brevipolide E
Formula C23H24O9
Mw 444.14203237
CAS RN 1149341-18-3
C_ID C00047407 ,
InChIKey AYUDDNXPNFAQHF-MURSKRSNNA-N
InChICode InChI=1S/C23H24O9/c1-12(30-21(28)9-7-14-6-8-17(25)18(26)10-14)22(29)15-11-16(15)23(31-13(2)24)19-4-3-5-20(27)32-19/h3,5-10,12,15-16,19,23,25-26H,4,11H2,1-2H3/b9-7+/t12-,15-,16-,19+,23-/m0/s1
SMILES CC(=O)O[C@@H]([C@H]1C[C@@H]1C(=O)C(C)OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC=CC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHyptis brevipes Ref.
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