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CHEBI:216384 - Gymnopilin A-11

ChEBI IDCHEBI:216384
ChEBI NameGymnopilin A-11
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SubmitterMetaboLights
DownloadsMolfile
FormulaC61H114O14
Net Charge0
Average Mass1071.569
Monoisotopic Mass1070.82086
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)[C@H](O)COC(=O)CC(C)(O)CC(=O)O
InChIInChI=1S/C61H114O14/c1-47(2)24-15-29-53(5,66)31-18-33-55(7,68)35-20-37-57(9,70)39-22-41-59(11,72)42-23-40-58(10,71)38-21-36-56(8,69)34-19-32-54(6,67)30-16-27-48(3)25-14-26-49(4)28-17-43-61(13,74)50(62)46-75-52(65)45-60(12,73)44-51(63)64/h24-25,28,50,62,66-74H,14-23,26-27,29-46H2,1-13H3,(H,63,64)/b48-25+,49-28+/t50-,53?,54?,55?,56?,57?,58?,59?,60?,61?/m1/s1
InChIKeyKQIRIQJSMCHCHB-ZRFWGTCCSA-N
Species of MetaboliteComponentSourceComments
Gymnopilusspeciesctabilis (ncbitaxon:171613) - DOI (10.1016/s0040-4039(00)81824-9)
ChEBI Ontology
Outgoing Relation(s)
Gymnopilin A-11 (CHEBI:216384) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
3-hydroxy-3-methyl-5-[(2R,6E,10E)-2,3,15,19,23,27,31,35,39-nonahydroxy-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,10,42-trienoxy]-5-oxopentanoic acid
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78445195ChemSpider