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CHEBI:206148 - Micromonohalimane A

ChEBI IDCHEBI:206148
ChEBI NameMicromonohalimane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESCC(=O)O[C@H](C[C@@]1(C)[C@@H]2CCCC(C)(C)C2=CC[C@@H]1C)[C@@]1(O)COC(=O)[C@@H]1O
InChIInChI=1S/C22H34O6/c1-13-8-9-15-16(7-6-10-20(15,3)4)21(13,5)11-17(28-14(2)23)22(26)12-27-19(25)18(22)24/h9,13,16-18,24,26H,6-8,10-12H2,1-5H3/t13-,16+,17+,18-,21+,22-/m0/s1
InChIKeyQCPWZRPDZHMSDZ-FBIIWJJDSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (27813411)
ChEBI Ontology
Outgoing Relation(s)
Micromonohalimane A (CHEBI:206148) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1R)-2-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-1-[(3R,4R)-3,4-dihydroxy-5-oxooxolan-3-yl]ethyl] acetate
Manual XrefsDatabases
60596819ChemSpider