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CHEBI:206153 - Micromonohalimane B

ChEBI IDCHEBI:206153
ChEBI NameMicromonohalimane B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33ClO5
Net Charge0
Average Mass412.954
Monoisotopic Mass412.20165
SMILESCC(=O)O[C@@H]1C(=O)O[C@@H](C[C@@]2(C)[C@H](C)CC=C3[C@@H]2CCCC3(C)C)[C@@]1(O)CCl
InChIInChI=1S/C22H33ClO5/c1-13-8-9-15-16(7-6-10-20(15,3)4)21(13,5)11-17-22(26,12-23)18(19(25)28-17)27-14(2)24/h9,13,16-18,26H,6-8,10-12H2,1-5H3/t13-,16+,17+,18-,21+,22+/m1/s1
InChIKeyVHRXKVWBDALPTK-SBPFZVHCSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (27813411)
ChEBI Ontology
Outgoing Relation(s)
Micromonohalimane B (CHEBI:206153) is a pentose (CHEBI:25901)
IUPAC Name 
[(3S,4S,5S)-5-[[(1S,2R,8aR)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-(chloromethyl)-4-hydroxy-2-oxooxolan-3-yl] acetate
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78440537ChemSpider