input word = C00041916

Metabolite InformationStructural formula
Name Terfucohexaphlorethol- B tetracosa acetate
Formula C108H90O54
Mw 2250.42964248
CAS RN 227085-69-0
C_ID C00041916 ,
InChIKey CTGQUHKOWGHOJQ-UHFFFAOYSA-N
InChICode InChI=1S/C108H90O54/c1-43(109)133-67-25-68(134-44(2)110)27-69(26-67)158-103-92(151-61(19)127)41-84(98(107(103)155-65(23)131)96-79(142-52(10)118)28-70(135-45(3)111)29-80(96)143-53(11)119)159-102-88(149-59(17)125)36-74(37-89(102)150-60(18)126)157-100-90(161-104-93(152-62(20)128)40-83(146-56(14)122)95(106(104)154-64(22)130)75-38-77(140-50(8)116)78(141-51(9)117)39-76(75)139-49(7)115)34-73(138-48(6)114)35-91(100)162-105-94(153-63(21)129)42-85(160-101-86(147-57(15)123)32-72(137-47(5)113)33-87(101)148-58(16)124)99(108(105)156-66(24)132)97-81(144-54(12)120)30-71(136-46(4)112)31-82(97)145-55(13)121/h25-42H,1-24H3
SMILES c1c(cc(c(c1OC(=O)C)Oc1cc(c(Oc2cc(cc(c2)OC(=O)C)OC(=O)C)c(c1c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1Oc1c(c(c(cc1OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(c(c(cc1OC(=O)C)OC(=O)C)c1cc(c(cc1OC(=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.
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OrganismCystophora retroflexa
ReferenceSailler,J.Nat.Prod.,69,(2006),869