input word = C00048617

Metabolite InformationStructural formula
Name Aspergiolide B
Formula C26H18O9
Mw 474.09508217
CAS RN 1085706-29-1
C_ID C00048617 ,
InChIKey QNVGAYSZARYAQR-UHFFFAOYSA-N
InChICode InChI=1S/C26H18O9/c1-9-4-13(28)19(14(29)5-9)24(32)22-18-12-7-11(27)8-16(34-3)17(12)23(31)20-15(30)6-10(2)25(21(18)20)35-26(22)33/h4-8,27-30H,1-3H3
SMILES c1(cc(c2c(c1)c1c3c(C2=O)c(cc(c3oc(=O)c1C(=O)c1c(cc(cc1O)C)O)C)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus glaucus Ref.
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