input word = C00049441

Metabolite InformationStructural formula
Name Deshydroxyhexafuhalol D pentadecaacetate
Formula C66H56O35
Mw 1408.26021357
CAS RN 163088-22-0
C_ID C00049441 ,
InChIKey QHFDCOMMHNBRBT-UHFFFAOYSA-N
InChICode InChI=1S/C66H56O35/c1-27(67)82-42-16-49(86-31(5)71)60(50(17-42)87-32(6)72)97-45-22-52(89-34(8)74)63(53(23-45)90-35(9)75)101-58-26-57(93-38(12)78)64(95-40(14)80)66(96-41(15)81)65(58)99-46-24-54(91-36(10)76)62(55(25-46)92-37(11)77)100-56-19-43(83-28(2)68)18-51(88-33(7)73)61(56)98-44-20-47(84-29(3)69)59(94-39(13)79)48(21-44)85-30(4)70/h16-26H,1-15H3
SMILES O(c1c(cc(cc1OC(=O)C)Oc1c(cc(cc1OC(=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)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeSargassum spinuligerum Ref.
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OrganismCarpophyllum angustifolium
ReferenceGlombitza,J.Nat.Prod.,62,(1999),1238