CHEBI:227758 - Cyclothiocurvularin 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 Cyclothiocurvularin B
ChEBI ID CHEBI:227758
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O8S
Net Charge 0
Average Mass 410.440
Monoisotopic Mass 410.10354
InChI InChI=1S/C19H22O8S/c1-9-3-2-4-13-16(19(26,8-28-13)18(24)25)17(23)15-10(6-14(22)27-9)5-11(20)7-12(15)21/h5,7,9,13,16,20-21,26H,2-4,6,8H2,1H3,(H,24,25)/t9-,13-,16+,19+/m0/s1
InChIKey CATXBXDAUWOWMZ-JDWDLIMNSA-N
SMILES S1[C@@H]2[C@H](C(=O)C3=C(O)C=C(O)C=C3CC(=O)O[C@H](CCC2)C)[C@@](C1)(O)C(=O)O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Cyclothiocurvularin B (CHEBI:227758) is a macrolide (CHEBI:25106)
IUPAC Name
(3S,4R,7S,11S)-4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylic acid
Manual Xref Database
58196977 ChemSpider
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