input word = C00049497

Metabolite InformationStructural formula
Name Nonafuhalol A tricosaacetate
Formula C100H84O54
Mw 2148.38269228
CAS RN 83903-62-2
C_ID C00049497 ,
InChIKey HDOAVORNXBKUTD-UHFFFAOYSA-N
InChICode InChI=1S/C100H84O54/c1-39(101)124-62-24-70(127-42(4)104)87(71(25-62)128-43(5)105)148-64-28-74(131-46(8)108)89(75(29-64)132-47(9)109)152-84-37-81(138-53(15)115)93(142-57(19)119)99(145-60(22)122)96(84)150-66-32-78(135-50(12)112)91(79(33-66)136-51(13)113)154-85-38-82(139-54(16)116)94(143-58(20)120)100(146-61(23)123)97(85)151-67-34-76(133-48(10)110)90(77(35-67)134-49(11)111)153-83-36-80(137-52(14)114)92(141-56(18)118)98(144-59(21)121)95(83)149-65-30-72(129-44(6)106)88(73(31-65)130-45(7)107)147-63-26-68(125-40(2)102)86(140-55(17)117)69(27-63)126-41(3)103/h24-38H,1-23H3
SMILES c1(c(c(cc(c1)Oc1c(c(c(cc1Oc1c(cc(cc1OC(=O)C)Oc1c(cc(c(c1OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(c(c(cc1Oc1c(cc(cc1OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1cc(c(c(c1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum muticum Ref.
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OrganismSargassum muticum
ReferenceGlombitza,J.Nat.Prod.,62,(1999),1238