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CHEBI:215451 - Drechmerin C

ChEBI IDCHEBI:215451
ChEBI NameDrechmerin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H45NO5
Net Charge0
Average Mass535.725
Monoisotopic Mass535.32977
SMILESCC(C)=CCOC(C)(C)[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/C33H45NO5/c1-19(2)14-16-38-30(3,4)27-18-25(35)33(29(36)37)24-12-11-20-17-22-21-9-7-8-10-23(21)34-28(22)32(20,6)31(24,5)15-13-26(33)39-27/h7-10,14,20,24-27,34-35H,11-13,15-18H2,1-6H3,(H,36,37)/t20-,24+,25+,26-,27-,31-,32+,33-/m0/s1
InChIKeyWROMAJJMNFVDNS-KFTNNUSKSA-N
Species of MetaboliteComponentSourceComments
Drechmeriaspecies (ncbitaxon:2545852) - PubMed (29366852)
ChEBI Ontology
Outgoing Relation(s)
Drechmerin C (CHEBI:215451) is a 19-oxo steroid (CHEBI:38149)
IUPAC Name 
(1S,2S,5S,7S,9R,10S,11R,14S)-9-hydroxy-1,2-dimethyl-7-[2-(3-methylbut-2-enoxy)propan-2-yl]-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
Manual XrefsDatabases
78442389ChemSpider