input word = C00023645

Metabolite InformationStructural formula
Name Methylenediboviquinone-3,3
Formula C43H56O8
Mw 700.39751876
CAS RN 34294-05-8
C_ID C00023645 ,
InChIKey RLXALUCQVVOVEQ-NLWVVMTCSA-N
InChICode InChI=1S/C43H56O8/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32-36(44)40(48)34(41(49)37(32)45)25-35-42(50)38(46)33(39(47)43(35)51)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4/h13-14,17-18,21-22,44,46,49,51H,9-12,15-16,19-20,23-25H2,1-8H3/b28-17+,29-18+,30-21+,31-22+
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)/CCC=C(C)C)O)O)C/C=C(/CC/C=C(\C)/CCC=C(C)C)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiGomphidiaceaeGomphidius rutilus Ref.
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OrganismGomphidius rutilus
ReferenceBeaumont,J.Chem.Soc.,(1971),2582-2585