input word = C00049512

Metabolite InformationStructural formula
Name Pseudoheptafuhalol D octadecaacetate
Formula C78H66O42
Mw 1674.30286624
CAS RN 202137-84-6
C_ID C00049512 ,
InChIKey VFSGDUYGVGATPQ-UHFFFAOYSA-N
InChICode InChI=1S/C78H66O42/c1-31(79)97-49-19-57(101-35(5)83)70(58(20-49)102-36(6)84)116-51-23-59(103-37(7)85)71(60(24-51)104-38(8)86)119-66-29-64(107-41(11)89)73(111-45(15)93)77(113-47(17)95)75(66)117-52-26-61(105-39(9)87)72(62(27-52)106-40(10)88)120-67-30-65(108-42(12)90)74(112-46(16)94)78(114-48(18)96)76(67)118-53-25-56(100-34(4)82)69(110-44(14)92)63(28-53)115-50-21-54(98-32(2)80)68(109-43(13)91)55(22-50)99-33(3)81/h19-30H,1-18H3
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(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)Oc1cc(c(c(c1)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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OrganismSargassum spinuligerum
ReferenceGlombitza,J.Nat.Prod.,62,(1999),1238