input word = C00021466

Metabolite InformationStructural formula
Name Melledonal B
Formula C23H27ClO8
Mw 466.13944555
CAS RN 117458-36-3
C_ID C00021466 ,
InChIKey HAJBXIZSTZMKOC-FKNNGCAGNA-N
InChICode InChI=1S/C23H27ClO8/c1-10-15(12(26)5-13(27)16(10)24)19(29)32-14-7-21(4)17-18(28)20(2,3)9-22(17,30)6-11(8-25)23(14,21)31/h5-6,8,14,17-18,26-28,30-31H,7,9H2,1-4H3/t14-,17-,18-,21-,22?,23+/m1/s1
SMILES C1(=C[C@@]2([C@@H]([C@@]3([C@]1([C@@H](C3)OC(=O)c1c(c(c(cc1O)O)Cl)C)O)C)[C@H](C(C2)(C)C)O)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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