CHEBI:217896 - Cryptosphaerolide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cryptosphaerolide
ChEBI ID CHEBI:217896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O7
Net Charge 0
Average Mass 466.615
Monoisotopic Mass 466.29305
InChI InChI=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
InChIKey MMGJJGNQFININV-OPYLLRRUSA-N
SMILES O=C(O[C@H]1[C@@]23O[C@@H]2[C@@]4(OCC([C@@H]4C[C@@]3([C@@H](C)CC1)C)=C)O)C(O)(CO)CC(CC(CC)C)C
Metabolite of Species Details
Cryptosphaeriaspecies CNL-523 (NCBI:txid766798) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
24672942 ChemSpider
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