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CHEBI:199571 - Gymnopilin A-10

ChEBI IDCHEBI:199571
ChEBI NameGymnopilin A-10
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SubmitterMetaboLights
DownloadsMolfile
FormulaC56H104O13
Net Charge0
Average Mass985.435
Monoisotopic Mass984.74769
SMILESCC(C)=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/C56H104O13/c1-43(2)22-14-27-49(5,61)29-17-31-51(7,63)33-19-35-53(9,65)37-21-38-54(10,66)36-20-34-52(8,64)32-18-30-50(6,62)28-15-25-44(3)23-13-24-45(4)26-16-39-56(12,68)46(57)42-69-48(60)41-55(11,67)40-47(58)59/h22-23,26,46,57,61-68H,13-21,24-25,27-42H2,1-12H3,(H,58,59)/b44-23+,45-26+/t46-,49?,50?,51?,52?,53?,54?,55?,56?/m1/s1
InChIKeyMPAUMIBHMNYNRN-FFEOCWPWSA-N
Species of MetaboliteComponentSourceComments
Gymnopilusspeciesctabilis (ncbitaxon:171613) - DOI (10.1016/s0040-4039(00)81824-9)
ChEBI Ontology
Outgoing Relation(s)
Gymnopilin A-10 (CHEBI:199571) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
3-hydroxy-3-methyl-5-[(2R,6E,10E)-2,3,15,19,23,27,31,35-octahydroxy-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-6,10,38-trienoxy]-5-oxopentanoic acid
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