CHEBI:209140 - Cochleamycin B2

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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 Cochleamycin B2
ChEBI ID CHEBI:209140
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H30O5
Net Charge 0
Average Mass 386.488
Monoisotopic Mass 386.20932
InChI InChI=1S/C23H30O5/c1-11(2)21(25)28-20-12(3)6-17-16(20)5-4-13-7-14-8-15-9-19(24)23(14,10-18(13)17)22(26)27-15/h4-5,11-18,20H,6-10H2,1-3H3/t12-,13+,14?,15+,16-,17-,18-,20-,23-/m1/s1
InChIKey WSWQMVNLCCKQMH-LACBXEJHSA-N
SMILES O=C1O[C@@H]2CC([C@@]13C(C[C@@H]4C=C[C@@H]5[C@H]([C@@H]4C3)C[C@@H](C)[C@H]5OC(=O)C(C)C)C2)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Cochleamycin B2 (CHEBI:209140) is a organic heterotricyclic compound (CHEBI:26979)
Cochleamycin B2 (CHEBI:209140) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,3R,4S,6R,7R,8R,11R,15S)-6-methyl-17,18-dioxo-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-en-7-yl] 2-methylpropanoate