input word = C00040713

Metabolite InformationStructural formula
Name Xylocarpin E
Formula C35H44O15
Mw 704.26802074
CAS RN 939775-77-6
C_ID C00040713 ,
InChIKey KRYOGVYVKJASNO-UHFFFAOYNA-N
InChICode InChI=1S/C35H44O15/c1-15(36)46-25(30(42)44-8)26-31(5)14-34(50-18(4)39)24(28(31)47-16(2)37)29(48-17(3)38)35(43)20-12-23(41)49-27(19-9-10-45-13-19)32(20,6)22(40)11-21(35)33(26,34)7/h9-10,13,20-22,24-29,40,43H,11-12,14H2,1-8H3/t20-,21-,22-,24-,25+,26+,27+,28+,29-,31-,32-,33-,34+,35-/m1/s1
SMILES COC(=O)C(OC(C)=O)C1C2(C)CC3(OC(C)=O)C(C2OC(C)=O)C(OC(C)=O)C2(O)C4CC(=O)OC(c5ccoc5)C4(C)C(O)CC2C13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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