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CHEBI:226357 - Emericolin B

ChEBI IDCHEBI:226357
ChEBI NameEmericolin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O2
Net Charge0
Average Mass372.593
Monoisotopic Mass372.30283
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@H]4[C@H](/C(CO)=C\C[C@H]3[C@H]12)[C@H](O)C[C@@H]4C
InChIInChI=1S/C25H40O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,16,18-23,26-27H,1,7-14H2,2-5H3/b17-6-/t16-,18+,19-,20-,21+,22-,23-,24-,25+/m0/s1
InChIKeyGFUBBDUOFRQHPV-BJZYOKJQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aurantiobrunneus (ncbitaxon:41725) - PubMed (15497939)
ChEBI Ontology
Outgoing Relation(s)
Emericolin B (CHEBI:226357) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,4S,6R,7R,8E,11S,12S,13S,16S)-8-(hydroxymethyl)-1,4,16-trimethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-en-6-ol
Manual XrefsDatabases
4980917ChemSpider