input word = C00041379

Metabolite InformationStructural formula
Name Bisfucoheptaphlorethol-A tricosa-acetate
Formula C106H88O53
Mw 2208.41907779
CAS RN 227085-54-3
C_ID C00041379 ,
InChIKey HOYDDYCOIYRFAK-UHFFFAOYSA-N
InChICode InChI=1S/C106H88O53/c1-43(107)130-66-24-67(131-44(2)108)26-68(25-66)153-99-90(33-72(135-48(6)112)34-91(99)159-102-87(147-60(18)124)39-75(40-88(102)148-61(19)125)156-104-93(150-63(21)127)42-81(141-54(12)118)97(106(104)152-65(23)129)95-78(138-51(9)115)29-70(133-46(4)110)30-79(95)139-52(10)116)158-100-83(143-56(14)120)35-73(36-84(100)144-57(15)121)154-98-82(142-55(13)119)31-71(134-47(5)111)32-89(98)157-101-85(145-58(16)122)37-74(38-86(101)146-59(17)123)155-103-92(149-62(20)126)41-80(140-53(11)117)96(105(103)151-64(22)128)94-76(136-49(7)113)27-69(132-45(3)109)28-77(94)137-50(8)114/h24-42H,1-23H3
SMILES c1(cc(cc(c1Oc1cc(cc(c1)OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(cc(c(c1OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(cc(c(c1OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCystophora retroflexa Ref.
zoom in



OrganismCystophora retroflexa
ReferenceSailler,J.Nat.Prod.,69,(2006),869