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CHEBI:217896 - Cryptosphaerolide

ChEBI IDCHEBI:217896
ChEBI NameCryptosphaerolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O7
Net Charge0
Average Mass466.615
Monoisotopic Mass466.29305
SMILESC=C1CO[C@@]2(O)[C@H]3O[C@]34[C@H](OC(=O)C(O)(CO)CC(C)CC(C)CC)CC[C@H](C)[C@@]4(C)C[C@@H]12
InChIInChI=1S/C26H42O7/c1-7-15(2)10-16(3)11-24(29,14-27)22(28)32-20-9-8-18(5)23(6)12-19-17(4)13-31-26(19,30)21-25(20,23)33-21/h15-16,18-21,27,29-30H,4,7-14H2,1-3,5-6H3/t15?,16?,18-,19-,20+,21-,23+,24?,25+,26+/m0/s1
InChIKeyMMGJJGNQFININV-OPYLLRRUSA-N
Species of MetaboliteComponentSourceComments
Cryptosphaeriaspecies CNL-523 (ncbitaxon:766798) - PubMed (20462271)
ChEBI Ontology
Outgoing Relation(s)
Cryptosphaerolide (CHEBI:217896) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,3S,4R,8S,10R,11S,14R)-4-hydroxy-10,11-dimethyl-7-methylidene-2,5-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-14-yl] 2-hydroxy-2-(hydroxymethyl)-4,6-dimethyloctanoate
Manual XrefsDatabases
24672942ChemSpider