input word = C00041917

Metabolite InformationStructural formula
Name Terfucopentaphlorethol-A docosa-acetate
Formula C98H82O49
Mw 2042.39246911
CAS RN 227085-68-9
C_ID C00041917 ,
InChIKey RXNLNRBQUCDVNY-UHFFFAOYSA-N
InChICode InChI=1S/C98H82O49/c1-39(99)121-61-23-62(122-40(2)100)25-63(24-61)144-93-82(137-55(17)115)38-77(90(96(93)140-58(20)118)87-73(131-49(11)109)30-66(125-43(5)103)31-74(87)132-50(12)110)145-92-78(135-53(15)113)34-68(35-79(92)136-54(16)114)143-91-80(146-94-83(138-56(18)116)36-75(133-51(13)111)88(97(94)141-59(21)119)85-69(127-45(7)105)26-64(123-41(3)101)27-70(85)128-46(8)106)32-67(126-44(6)104)33-81(91)147-95-84(139-57(19)117)37-76(134-52(14)112)89(98(95)142-60(22)120)86-71(129-47(9)107)28-65(124-42(4)102)29-72(86)130-48(10)108/h23-38H,1-22H3
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(Oc2c(c(c(cc2OC(=O)C)OC(=O)C)c2c(cc(cc2OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)cc(cc1Oc1c(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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCystophora retroflexa Ref.
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