input word = C00040718

Metabolite InformationStructural formula
Name Xyloester A
(+)-Xyloester A
Formula C23H30O5
Mw 386.20932407
CAS RN 1035349-34-8
C_ID C00040718 ,
InChIKey ZWJBVZKAYJMZCN-OCKHKDLRNA-N
InChICode InChI=1S/C23H30O5/c1-5-6-7-8-9-19(22(24)25)16(4)23(26)27-14-17-10-11-20-18(12-17)13-21(28-20)15(2)3/h9-12,16,21H,2,5-8,13-14H2,1,3-4H3,(H,24,25)/b19-9-/t16-,21-/m0/s1
SMILES c1c(cc2c(c1)O[C@@H](C2)C(=C)C)COC(=O)[C@H](/C(=C/CCCCC)/C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria sp. #2508 Ref.
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