input word = C00021465

Metabolite InformationStructural formula
Name Melledonal C
Formula C24H29ClO8
Mw 480.15509561
CAS RN 117458-35-2
C_ID C00021465 ,
InChIKey RCBZBPPFXBBNCD-YYPZOPGFNA-N
InChICode InChI=1S/C24H29ClO8/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/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3/t15-,18-,19-,22-,23?,24?/m1/s1
SMILES C1(=C[C@@]2([C@@H]([C@@]3([C@]1([C@@H](C3)OC(=O)c1c(c(c(cc1O)OC)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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