input word = C00036192

Metabolite InformationStructural formula
Name Pectinolide D
Formula C16H22O8
Mw 342.13146768
CAS RN 651329-17-8
C_ID C00036192 ,
InChIKey ZJUUDZGRQUKRFD-SCQBXCHHNA-N
InChICode InChI=1S/C16H22O8/c1-9(22-10(2)17)14(20)8-12(23-11(3)18)4-6-15-13(19)5-7-16(21)24-15/h4-7,9,12-15,19-20H,8H2,1-3H3/b6-4-/t9-,12+,13-,14+,15-/m0/s1
SMILES CC(=O)O[C@H](/C=C[C@@H]1OC(=O)C=C[C@@H]1O)C[C@@H](O)[C@H](C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHyptis pectinata Ref.
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