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CHEBI:215454 - Drechmerin B

ChEBI IDCHEBI:215454
ChEBI NameDrechmerin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO5
Net Charge0
Average Mass467.606
Monoisotopic Mass467.26717
SMILESCC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C(=O)O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c(nc5ccccc45)[C@@]23C)O1
InChIInChI=1S/C28H37NO5/c1-25(2,33)22-14-20(30)28(24(31)32)19-10-9-15-13-17-16-7-5-6-8-18(16)29-23(17)27(15,4)26(19,3)12-11-21(28)34-22/h5-8,15,19-22,29-30,33H,9-14H2,1-4H3,(H,31,32)/t15-,19+,20+,21-,22-,26-,27+,28-/m0/s1
InChIKeyBXGYSFFJFNFYKT-PEORYIHDSA-N
Species of MetaboliteComponentSourceComments
Drechmeriaspecies (ncbitaxon:2545852) - PubMed (29366852)
ChEBI Ontology
Outgoing Relation(s)
Drechmerin B (CHEBI:215454) is a 19-oxo steroid (CHEBI:38149)
IUPAC Name 
(1S,2S,5S,7S,9R,10S,11R,14S)-9-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-10-carboxylic acid
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