CHEBI:215254 - ST906

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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 ST906
ChEBI ID CHEBI:215254
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H42O7
Net Charge 0
Average Mass 538.681
Monoisotopic Mass 538.29305
InChI InChI=1S/C32H42O7/c1-6-27-19(3)11-12-32(39-27)16-24-15-23(38-32)9-7-18(2)13-20(4)26(33)10-8-22-17-36-30-28(22)25(31(35)37-24)14-21(5)29(30)34/h7-8,10,14,17,19-20,23-24,26-27,33-34H,6,9,11-13,15-16H2,1-5H3/b10-8-,18-7-/t19-,20+,23+,24-,26+,27+,32+/m0/s1
InChIKey REHJZZDELNRESL-KIWYAAIUSA-N
SMILES O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H]([C@@H](C=CC=4C5=C1C=C(C)C(=C5OC4)O)O)C)C)O[C@@H]([C@@H](C)CC3)CC
Metabolite of Species Details
Streptomyces bingchenggensis (NCBI:txid379067) See: PubMed
ChEBI Ontology
Outgoing ST906 (CHEBI:215254) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,5'S,6R,6'R,8R,10Z,13R,14S,15Z)-6'-ethyl-14,21-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,15,17,20,22-hexaene-6,2'-oxane]-2-one
Manual Xref Database
78437535 ChemSpider
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