input word = C00056758

Metabolite InformationStructural formula
Name 6-O-Methylarmillaridin
Formula C25H31ClO6
Mw 462.18091643
CAS RN 126006-70-0
C_ID C00056758
InChIKey OFHJKWNSOIQOPB-JJYCJAGASA-N
InChICode InChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3/t14-,16+,19-,24-,25+/m1/s1
SMILES [H][C@]12C=C(C=O)[C@@]3(OC)[C@@](C[C@H]3OC(C4=C(O)C=C(OC)C(Cl)=C4C)=O)(C)[C@@]1([H])CC(C)(C)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeArmillaria mellea Ref.
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OrganismArmillaria mellea
ReferenceMidland, S.L. et al., Tet. Lett., 1982, 23, 2515-2518 (Melleolide, cryst struct)