input word = C00049442

Metabolite InformationStructural formula
Name Deshydroxyoctafuhalol C eicosaacetate
Formula C88H74O47
Mw 1882.34003961
CAS RN 163088-25-3
C_ID C00049442 ,
InChIKey TWZDKUUODQPLGO-UHFFFAOYSA-N
InChICode InChI=1S/C88H74O47/c1-35(89)109-55-21-56(110-36(2)90)23-57(22-55)130-83-73(32-70(120-46(12)100)80(123-49(15)103)86(83)126-52(18)106)133-78-66(116-42(8)96)28-60(29-67(78)117-43(9)97)132-85-75(34-72(122-48(14)102)82(125-51(17)105)88(85)128-54(20)108)135-79-68(118-44(10)98)30-61(31-69(79)119-45(11)99)131-84-74(33-71(121-47(13)101)81(124-50(16)104)87(84)127-53(19)107)134-77-64(114-40(6)94)26-59(27-65(77)115-41(7)95)129-76-62(112-38(4)92)24-58(111-37(3)91)25-63(76)113-39(5)93/h21-34H,1-20H3
SMILES c1(cc(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)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum spinuligerum Ref.
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