input word = C00021462

Metabolite InformationStructural formula
Name Melleolide D
Formula C24H31ClO8
Mw 482.17074568
CAS RN 101922-80-9
C_ID C00021462 ,
InChIKey PSCSRVBGZZBKIW-YYPZOPGFNA-N
InChICode InChI=1S/C24H31ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,15,18-19,26-28,30-31H,8-10H2,1-5H3/t15-,18-,19-,22-,23-,24?/m1/s1
SMILES COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(CO)[C@]23O)c(C)c1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
zoom in