input word = C00041381

Metabolite InformationStructural formula
Name Bisfucotetraphlorethol-A heptadeca-acetate
Formula C76H64O38
Mw 1584.30755769
CAS RN 96738-80-6
C_ID C00041381 ,
InChIKey GIDAFUFEYFNUAS-UHFFFAOYSA-N
InChICode InChI=1S/C76H64O38/c1-31(77)94-48-18-49(95-32(2)78)20-50(19-48)111-71-63(113-73-65(107-44(14)90)29-59(104-41(11)87)69(75(73)109-46(16)92)67-55(100-37(7)83)21-51(96-33(3)79)22-56(67)101-38(8)84)27-54(99-36(6)82)28-64(71)114-74-66(108-45(15)91)30-60(112-72-61(105-42(12)88)25-53(98-35(5)81)26-62(72)106-43(13)89)70(76(74)110-47(17)93)68-57(102-39(9)85)23-52(97-34(4)80)24-58(68)103-40(10)86/h18-30H,1-17H3
SMILES c1(cc(cc(c1Oc1cc(cc(c1)OC(=O)C)OC(=O)C)Oc1c(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(cc(c(c1OC(=O)C)c1c(cc(cc1OC(=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.
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