input word = C00052998

Metabolite InformationStructural formula
Name Daldinin C
Formula C22H26O9
Mw 434.15768243
CAS RN 162558-88-5
C_ID C00052998
InChIKey VRLYZDQATXRJGD-NUPCNAKASA-N
InChICode InChI=1S/C22H26O9/c1-6-11(2)20(27)29-19-14-9-17(25)21(5,31-13(4)23)18(26)15(14)10-28-22(19)16(24)8-7-12(3)30-22/h6,9-10,12,16,19,24H,7-8H2,1-5H3/b11-6+/t12-,16+,19+,21-,22-/m0/s1
SMILES C[C@H](O1)CC[C@@H](O)[C@]1([C@@H]2OC(/C(C)=C/C)=O)OC=C(C2=C3)C([C@@](C)(OC(C)=O)C3=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
FungiXylariaceaeHypoxylon fuscum Ref.
FungiXylariaceaeHypoxylon rubiginosum Ref.
zoom in