input word = C00000690

Metabolite InformationStructural formula
Name Cerberalignan B
Formula C40H46O14
Mw 750.28875618
CAS RN
C_ID C00000690 ,
InChIKey XPQIEZIKRSRKFO-RNWFMQAYNA-N
InChICode InChI=1S/C40H46O14/c1-49-31-10-21(5-7-29(31)43)15-39(47)19-54-38(28(39)18-42)24-12-26(36(46)34(14-24)52-4)25-9-22(11-33(51-3)35(25)45)16-40(48)20-53-37(27(40)17-41)23-6-8-30(44)32(13-23)50-2/h5-14,27-28,37-38,41-48H,15-20H2,1-4H3/t27-,28-,37-,38-,39-,40-/m1/s1
SMILES COc1cc(C[C@@]2(O)COC(c3cc(OC)c(O)c(-c4cc(C[C@@]5(O)COC(c6ccc(O)c(OC)c6)C5CO)cc(OC)c4O)c3)[C@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera odollam Ref.
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OrganismCerbera odollam
ReferenceAbe,Phytochem.,28,(1989),3473

Abe,Phytochem.,27,(1988),3627

Abe,Chem.Pharm.Bull,36,(1988),795