input word = C00049515

Metabolite InformationStructural formula
Name Pseudohexafuhalol C hexadecaacetate
Formula C68H58O37
Mw 1466.26569288
CAS RN 202137-80-2
C_ID C00049515 ,
InChIKey YKUKJEPCCWNVRQ-UHFFFAOYSA-N
InChICode InChI=1S/C68H58O37/c1-27(69)85-43-17-49(88-30(4)72)60(50(18-43)89-31(5)73)103-46-23-53(92-34(8)76)62(54(24-46)93-35(9)77)105-66-58(26-56(95-37(11)79)64(98-40(14)82)68(66)100-42(16)84)102-45-21-51(90-32(6)74)61(52(22-45)91-33(7)75)104-65-57(25-55(94-36(10)78)63(97-39(13)81)67(65)99-41(15)83)101-44-19-47(86-28(2)70)59(96-38(12)80)48(20-44)87-29(3)71/h17-26H,1-16H3
SMILES c1c(cc(c(c1OC(=O)C)Oc1c(c(c(cc1Oc1cc(c(c(c1)OC(=O)C)Oc1c(cc(c(c1OC(=O)C)OC(=O)C)OC(=O)C)Oc1cc(c(OC(=O)C)c(c1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=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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