CHEBI:225063 - Gephysulfuromycin

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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 Gephysulfuromycin
ChEBI ID CHEBI:225063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O7S
Net Charge 0
Average Mass 402.420
Monoisotopic Mass 402.07732
InChI InChI=1S/C20H18O7S/c1-2-17-7-12(23)20(27)18(26,8-17)6-11(22)14-15(24)13-9(4-3-5-10(13)21)16(25)19(14,20)28-17/h3-5,21,24,26-27H,2,6-8H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey SOMNLUVVNNDOGD-FUMNGEBKSA-N
SMILES S1[C@]23C(=O)C4=C(C(O)=CC=C4)C(=C2C(=O)C[C@]5([C@]3(O)C(=O)C[C@@]1(C5)CC)O)O
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing Gephysulfuromycin (CHEBI:225063) is a naphthols (CHEBI:25392)
IUPAC Name
(1R,13S,15S,18S)-15-ethyl-7,9,13,18-tetrahydroxy-19-thiapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3(8),4,6,9-tetraene-2,11,17-trione