input word = C00049458

Metabolite InformationStructural formula
Name Hexafuhalol A hexadecaacetate
Formula C68H58O37
Mw 1466.26569288
CAS RN 83919-46-4
C_ID C00049458 ,
InChIKey XMUWVAPYLIYYJW-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)101-44-19-51(90-32(6)74)61(52(20-44)91-33(7)75)104-58-26-56(95-37(11)79)64(98-40(14)82)68(100-42(16)84)66(58)103-46-23-53(92-34(8)76)62(54(24-46)93-35(9)77)105-57-25-55(94-36(10)78)63(97-39(13)81)67(99-41(15)83)65(57)102-45-21-47(86-28(2)70)59(96-38(12)80)48(22-45)87-29(3)71/h17-26H,1-16H3
SMILES c1(c(c(cc(c1Oc1cc(c(c(c1)OC(=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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum muticum Ref.
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