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CHEBI:219148 - Merochlorin C

ChEBI IDCHEBI:219148
ChEBI NameMerochlorin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32Cl2O5
Net Charge0
Average Mass495.443
Monoisotopic Mass494.16268
SMILESCC1=CCC(=C(C)C)C[C@]2(O)C(=O)c3cc(cc(O)c3C(=O)[C@]2(C)Cl)OC(C)(C)C(Cl)CC1
InChIInChI=1S/C26H32Cl2O5/c1-14(2)16-9-7-15(3)8-10-20(27)24(4,5)33-17-11-18-21(19(29)12-17)23(31)25(6,28)26(32,13-16)22(18)30/h7,11-12,20,29,32H,8-10,13H2,1-6H3/t20?,25-,26-/m0/s1
InChIKeyOGKULKCQQIVNDI-RBCOLISLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22784372)
ChEBI Ontology
Outgoing Relation(s)
Merochlorin C (CHEBI:219148) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(12S,13R)-4,13-dichloro-12,16-dihydroxy-3,3,7,13-tetramethyl-10-propan-2-ylidene-2-oxatricyclo[10.5.3.015,19]icosa-1(18),7,15(19),16-tetraene-14,20-dione