input word = C00038667

Metabolite InformationStructural formula
Name Butyrolactone I 3-sulfate
Formula C24H24O10S
Mw 504.10901772
CAS RN 1012860-64-8
C_ID C00038667 ,
InChIKey QRQVCSIFYBTLJW-FQKVKQEKNA-N
InChICode InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(28)32-3)20(16-7-9-18(25)10-8-16)21(22(27)33-24)34-35(29,30)31/h4-5,7-12,25-26H,6,13H2,1-3H3,(H,29,30,31)/t24-/m1/s1
SMILES COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OS(=O)(=O)O)=C1c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus terreus HK10499 Ref.
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