CHEBI:202358 - Myrocin B

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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 Myrocin B
ChEBI ID CHEBI:202358
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O6
Net Charge 0
Average Mass 358.390
Monoisotopic Mass 358.14164
InChI InChI=1S/C20H22O6/c1-4-16(2)8-11-13(22)20(25)14-17(3,15(23)26-20)6-5-10-7-18(10,14)19(11,24)12(21)9-16/h4,8,10,14,24-25H,1,5-7,9H2,2-3H3/t10-,14-,16+,17-,18-,19-,20+/m0/s1
InChIKey ZALWBYOUGDMNTP-RXSCCBSPSA-N
SMILES O=C1C2=C[C@@](C=C)(CC([C@]2(O)[C@@]34[C@@H](CC[C@]5([C@@H]3[C@@]1(OC5=O)O)C)C4)=O)C
Metabolite of Species Details
Albifimbria verrucaria (NCBI:txid1859699) See: DOI
ChEBI Ontology
Outgoing Myrocin B (CHEBI:202358) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1S,2S,5R,9S,12S,15S,17R)-5-ethenyl-2,9-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.01,15.02,7.012,17]heptadec-6-ene-3,8,11-trione
Manual Xref Database
78436857 ChemSpider
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