input word = C00023648

Metabolite InformationStructural formula
Name Amitenone
Methylenebis(2,5-dihydroxy-4-all-trans-gerangeranyl-3,6-benzoquinone)
Methylenediboviquinone-4,4
Formula C53H72O8
Mw 836.52271928
CAS RN 21682-47-3
C_ID C00023648 ,
InChIKey LJHHBOPEDAEYGJ-JULFZRGUSA-N
InChICode InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+
SMILES C1(=C(C(=O)C(=C(C1=O)CC1=C(C(=O)C(=C(C1=O)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O)C/C=C(/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSuillaceaeAmitake mushroom Ref.
FungiSuillaceaeSuillus bovinus Ref.
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