input word = C00036193

Metabolite InformationStructural formula
Name Pectinolide E
Formula C20H26O10
Mw 426.15259705
CAS RN 651329-18-9
C_ID C00036193 ,
InChIKey BCAJCHXPKGTADB-CCXBHPNUNA-N
InChICode InChI=1S/C20H26O10/c1-11(26-12(2)21)19(29-15(5)24)10-16(27-13(3)22)6-7-18-17(28-14(4)23)8-9-20(25)30-18/h6-9,11,16-19H,10H2,1-5H3/b7-6-/t11-,16+,17-,18-,19+/m0/s1
SMILES C1(=O)C=C[C@@H]([C@@H](O1)/C=C\[C@H](C[C@H]([C@H](C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHyptis pectinata Ref.
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