input word = C00049456

Metabolite InformationStructural formula
Name Fucodifucotetraphlorethol A eicosaacetate
Formula C88H74O44
Mw 1834.35529574
CAS RN 199925-30-9
C_ID C00049456 ,
InChIKey CDFZWFRJEQFCDV-UHFFFAOYSA-N
InChICode InChI=1S/C88H74O44/c1-35(89)109-55-21-56(110-36(2)90)23-57(22-55)129-81-72(131-83-74(124-50(16)104)34-69(130-82-70(122-48(14)102)30-61(114-40(6)94)31-71(82)123-49(15)103)78(85(83)126-52(18)106)75-63(116-42(8)96)24-58(111-37(3)91)25-64(75)117-43(9)97)32-62(115-41(7)95)33-73(81)132-88-86(127-53(19)107)79(76-65(118-44(10)98)26-59(112-38(4)92)27-66(76)119-45(11)99)84(125-51(17)105)80(87(88)128-54(20)108)77-67(120-46(12)100)28-60(113-39(5)93)29-68(77)121-47(13)101/h21-34H,1-20H3
SMILES c1(cc(cc(c1c1c(c(c(c(c1OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(Oc2cc(cc(c2)OC(=O)C)OC(=O)C)c(cc(c1)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)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeCystophora torulosa Ref.
ChromalveolataSargassaceaeSargassum spinuligerum Ref.
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