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CHEBI:219106 - Samholide H

ChEBI IDCHEBI:219106
ChEBI NameSamholide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC89H150O28
Net Charge0
Average Mass1668.151
Monoisotopic Mass1667.03136
SMILESCO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@@H]2C[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@@H](O[C@H]4OC[C@H](OC)[C@@H](OC)[C@@H]4O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)C[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]4CC=C[C@@H](C[C@@H](O[C@H]5OC[C@H](O)[C@@H](OC)[C@@H]5O)C/C=C(C)\C=C/C(=O)O2)O4)O3)O[C@@H](C)C1
InChIInChI=1S/C89H150O28/c1-50-24-30-68(114-88-84(99)86(106-16)74(94)48-108-88)42-62-20-18-22-64(112-62)46-75(103-13)56(7)72(92)38-60(90)41-78(59(10)83(98)53(4)29-33-67-45-71(102-12)37-55(6)111-67)117-81(96)35-27-51(2)25-31-69(115-89-85(100)87(107-17)79(105-15)49-109-89)43-63-21-19-23-65(113-63)47-76(104-14)57(8)73(93)39-61(91)40-77(116-80(95)34-26-50)58(9)82(97)52(3)28-32-66-44-70(101-11)36-54(5)110-66/h18-21,24-27,34-35,52-79,82-94,97-100H,22-23,28-33,36-49H2,1-17H3/b34-26-,35-27-,50-24-,51-25-/t52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,82-,83-,84-,85-,86+,87+,88+,89+/m0/s1
InChIKeyHWBNYFMBFABIIO-YNAUIAOUSA-N
Species of MetaboliteComponentSourceComments
Phormidiumspecies (ncbitaxon:1199) - PubMed (29457979)
ChEBI Ontology
Outgoing Relation(s)
Samholide H (CHEBI:219106) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,5E,7E,11S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,35R,37S,38S,39S,41S)-3-[(2R,3S,4R,5S)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-13,15,35,37-tetrahydroxy-25-[(2R,3S,4S,5S)-3-hydroxy-4,5-dimethoxyoxan-2-yl]oxy-11,33-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,16,28,38-tetramethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
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