input word = C00040842

Metabolite InformationStructural formula
Name 6'',8'-Bisdiosquinone
(-)-6'',8'-Bisdiosquinone
Formula C44H26O14
Mw 778.13225554
CAS RN 221012-51-7
C_ID C00040842 ,
InChIKey MAFARFGSWMJHCN-UHFFFAOYNA-N
InChICode InChI=1S/C44H26O14/c1-11-5-15-27(20(45)6-11)21(46)10-19(32(15)48)25-14(4)26(30-31(37(25)53)40(56)44-43(58-44)39(30)55)24-13(3)8-16-28(36(24)52)22(47)9-18(33(16)49)23-12(2)7-17-29(35(23)51)38(54)42-41(57-42)34(17)50/h5-10,41-45,51-53H,1-4H3/t41-,42-,43-,44-/m1/s1
SMILES c1(cc(c2c(c1)C(=O)C(=CC2=O)c1c(c2c(c(c1C)c1c(cc3c(c1O)C(=O)C=C(C3=O)c1c(c3c(cc1C)C(=O)[C@@H]1[C@@H](C3=O)O1)O)C)C(=O)[C@@H]1[C@@H](C2=O)O1)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros mafiensis Ref.
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