input word = C00047406

Metabolite InformationStructural formula
Name Brevipolide D
(+)-Brevipolide D
Formula C21H22O8
Mw 402.13146768
CAS RN 1149341-16-1
C_ID C00047406 ,
InChIKey PMVFYHVSZOZDAN-PVWRLSFDNA-N
InChICode InChI=1S/C21H22O8/c1-11(28-19(25)8-6-12-5-7-15(22)16(23)9-12)20(26)13-10-14(13)21(27)17-3-2-4-18(24)29-17/h2,4-9,11,13-14,17,21-23,27H,3,10H2,1H3/b8-6-/t11-,13+,14+,17-,21+/m1/s1
SMILES CC(OC(=O)/C=Cc1ccc(O)c(O)c1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHyptis brevipes Ref.
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