input word = C00049513

Metabolite InformationStructural formula
Name Pseudohexafuhalol A hexadecaacetate
Formula C68H58O37
Mw 1466.26569288
CAS RN 202137-73-3
C_ID C00049513 ,
InChIKey ZIUHWYSRINFROP-UHFFFAOYSA-N
InChICode InChI=1S/C68H58O37/c1-27(69)85-47-17-43(18-48(86-28(2)70)59(47)93-35(9)77)101-53-24-46(23-52(90-32(6)74)61(53)95-37(11)79)104-65-57(25-55(91-33(7)75)63(97-39(13)81)67(65)99-41(15)83)102-45-21-51(89-31(5)73)62(96-38(12)80)54(22-45)105-66-58(26-56(92-34(8)76)64(98-40(14)82)68(66)100-42(16)84)103-44-19-49(87-29(3)71)60(94-36(10)78)50(20-44)88-30(4)72/h17-26H,1-16H3
SMILES CC(=O)Oc1cc(Oc2cc(Oc3c(Oc4cc(OC(C)=O)c(OC(C)=O)c(Oc5c(Oc6cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c6)cc(OC(C)=O)c(OC(C)=O)c5OC(C)=O)c4)cc(OC(C)=O)c(OC(C)=O)c3OC(C)=O)cc(OC(C)=O)c2OC(C)=O)cc(OC(C)=O)c1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum spinuligerum Ref.
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