input word = C00030016

Metabolite InformationStructural formula
Name Cotylelophenol C
Formula C56H42O12
Mw 906.26762681
CAS RN 886465-74-3
C_ID C00030016 ,
InChIKey SOJJIUSPBALPHK-UHFFFAOYNA-N
InChICode InChI=1S/C56H42O12/c57-28-7-1-24(2-8-28)44-37-18-31(60)13-14-36(37)49-47-38(19-34(63)21-40(47)65)50(44)52-41(66)23-42(67)53-51(45(54(49)55(52)53)25-3-9-29(58)10-4-25)39-20-35(64)22-43-48(39)46(27-15-32(61)17-33(62)16-27)56(68-43)26-5-11-30(59)12-6-26/h1-23,44-46,49-51,54,56-67H/t44-,45-,46-,49-,50-,51-,54-,56+/m0/s1
SMILES c12c3c(cc(c1[C@H]([C@@H]([C@H]2[C@@H]1c2c([C@H]3[C@H](c3c1ccc(c3)O)c1ccc(cc1)O)cc(cc2O)O)c1ccc(cc1)O)c1c2c(cc(c1)O)O[C@@H]([C@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeCotylelobium lanceolatum Ref.
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