input word = C00041525

Metabolite InformationStructural formula
Name Fucopentaphlorethol-E hexadeca acetate
Formula C74H62O37
Mw 1542.296993
CAS RN 227085-48-5
C_ID C00041525 ,
InChIKey LXKUULKPKBBOHS-UHFFFAOYSA-N
InChICode InChI=1S/C74H62O37/c1-31(75)91-47-17-48(92-32(2)76)19-49(18-47)107-70-64(110-71-60(101-41(11)85)26-53(27-61(71)102-42(12)86)108-69-58(99-39(9)83)22-51(94-34(4)78)23-59(69)100-40(10)84)24-52(95-35(5)79)25-65(70)111-72-62(103-43(13)87)28-54(29-63(72)104-44(14)88)109-73-66(105-45(15)89)30-57(98-38(8)82)68(74(73)106-46(16)90)67-55(96-36(6)80)20-50(93-33(3)77)21-56(67)97-37(7)81/h17-30H,1-16H3
SMILES c1c(cc(c(c1OC(=O)C)Oc1c(c(cc(c1)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1cc(cc(c1)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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