input word = C00054139

Metabolite InformationStructural formula
Name 6'-Chloro-10alpha-hydroxymelleolide
Formula C23H27ClO7
Mw 450.14453093
CAS RN 298702-67-7
C_ID C00054139
InChIKey QXPGYRDUXBYJHG-NDVLAHOZSA-N
InChICode InChI=1S/C23H27ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,9,11,15,17,19,26-28,30H,7-8H2,1-4H3/t11-,15-,17-,19-,22-,23+/m1/s1
SMILES OC1=CC(O)=C(C(O[C@@H]2C[C@@]3(C)[C@]2(O)C(C=O)=C[C@@]4([H])[C@]3([H])[C@@H](O)C(C)(C)C4)=O)C(C)=C1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMarasmiaceaeArmillariella mellea Ref.
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OrganismArmillariella mellea
ReferenceArnone, A. et al., Phytochemistry, 1986, 25, 471-474 (Melliolides B-D)