input word = C00047404

Metabolite InformationStructural formula
Name Brevipolide B
(+)-Brevipolide B
Formula C23H24O8
Mw 428.14711774
CAS RN 1149341-12-7
C_ID C00047404 ,
InChIKey HEYOPWSFHOXZQH-JQSYEJCGNA-N
InChICode InChI=1S/C23H24O8/c1-13(29-21(27)11-8-15-6-9-16(25)10-7-15)22(28)17-12-18(17)23(30-14(2)24)19-4-3-5-20(26)31-19/h3,5-11,13,17-19,23,25H,4,12H2,1-2H3/b11-8-/t13-,17-,18+,19-,23+/m1/s1
SMILES c1c(ccc(c1)/C=C\C(=O)O[C@@H](C(=O)[C@H]1[C@H](C1)[C@H](OC(=O)C)[C@H]1CC=CC(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHyptis brevipes Ref.
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OrganismHyptis brevipes
ReferenceDeng,J.Nat.Prod.,72,(2009),1165