input word = C00049439

Metabolite InformationStructural formula
Name Decafuhalol A hexacosaacetate
Formula C112H94O61
Mw 2414.42534496
CAS RN 163088-18-4
C_ID C00049439 ,
InChIKey YTHPOIRWEJIJGY-UHFFFAOYSA-N
InChICode InChI=1S/C112H94O61/c1-43(113)139-69-27-77(142-46(4)116)96(78(28-69)143-47(5)117)165-70-29-79(144-48(6)118)97(80(30-70)145-49(7)119)170-92-40-88(153-57(15)127)102(158-62(20)132)110(162-66(24)136)106(92)167-72-33-83(148-52(10)122)99(84(34-72)149-53(11)123)172-94-42-90(155-59(17)129)104(160-64(22)134)112(164-68(26)138)108(94)169-74-37-85(150-54(12)124)100(86(38-74)151-55(13)125)173-93-41-89(154-58(16)128)103(159-63(21)133)111(163-67(25)137)107(93)168-73-35-81(146-50(8)120)98(82(36-73)147-51(9)121)171-91-39-87(152-56(14)126)101(157-61(19)131)109(161-65(23)135)105(91)166-71-31-75(140-44(2)114)95(156-60(18)130)76(32-71)141-45(3)115/h27-42H,1-26H3
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(c1Oc1cc(c(c(c1)OC(=O)C)OC(=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
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum spinuligerum Ref.
zoom in



OrganismCarpophyllum angustifolium
ReferenceGlombitza,J.Nat.Prod.,62,(1999),1238