CHEBI:207816 - Cytosporin A

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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 Cytosporin A
ChEBI ID CHEBI:207816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O5
Net Charge 0
Average Mass 308.374
Monoisotopic Mass 308.16237
InChI InChI=1S/C17H24O5/c1-4-5-6-7-10-11(9-18)14-17(15(22-17)13(10)20)8-12(19)16(2,3)21-14/h9,12,14-15,19H,4-8H2,1-3H3/t12-,14-,15-,17?/m1/s1
InChIKey ODZUPGUSIOTTSS-UBEPTHPKSA-N
SMILES O=C1C(=C(C=O)[C@H]2OC(C)(C)[C@@H](CC32[C@@H]1O3)O)CCCCC
Metabolite of Species Details
Cytospora (NCBI:txid117544) See: PubMed
Cytosporaspecies (NCBI:txid1715226) See: PubMed
ChEBI Ontology
Outgoing Cytosporin A (CHEBI:207816) is a cyclohexenones (CHEBI:48953)
IUPAC Names
(1aS,4aR,7R)-7-hydroxy-6,6-dimethyl-2-oxo-3-pentyl-1a,4a,7,8-tetrahydrooxireno[2,3-e]chromene-4-carbaldehyde
(2,6-dihydroxyphenyl)-[(3R)-3,8-dihydroxy-2,2,10-trimethyl-4,6-dihydro-3H-1,5-benzodioxocin-7-yl]methanone
Manual Xref Database
78437342 ChemSpider
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