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CHEBI:219379 - Hypsiziprenol-B12

ChEBI IDCHEBI:219379
ChEBI NameHypsiziprenol-B12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H114O9
Net Charge0
Average Mass979.563
Monoisotopic Mass978.84629
SMILESC=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)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
InChIInChI=1S/C60H114O9/c1-15-52(6,61)32-18-30-50(4)28-16-29-51(5)31-19-34-54(8,63)36-21-38-56(10,65)40-23-42-58(12,67)44-25-46-60(14,69)48-26-47-59(13,68)45-24-43-57(11,66)41-22-39-55(9,64)37-20-35-53(7,62)33-17-27-49(2)3/h15,27,29-30,61-69H,1,16-26,28,31-48H2,2-14H3/b50-30+,51-29+
InChIKeyJXAAXOPDHDGIKS-XGKWXWRRSA-N
Species of MetaboliteComponentSourceComments
Hypsizygus marmoreus (ncbitaxon:39966) - PubMed (10563937)
ChEBI Ontology
Outgoing Relation(s)
Hypsiziprenol-B12 (CHEBI:219379) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
(6E,10E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-1,6,10,46-tetraene-3,15,19,23,27,31,35,39,43-nonol
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