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CHEBI:206111 - GERI-BP001 A

ChEBI IDCHEBI:206111
ChEBI NameGERI-BP001 A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO6
Net Charge0
Average Mass467.562
Monoisotopic Mass467.23079
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)CC[C@H]2C1(C)C
InChIInChI=1S/C27H33NO6/c1-15(29)32-20-9-10-26(4)19(25(20,2)3)8-11-27(5)23(26)22(30)21-18(34-27)13-17(33-24(21)31)16-7-6-12-28-14-16/h6-7,12-14,19-20,22-23,30H,8-11H2,1-5H3/t19-,20-,22+,23+,26-,27+/m0/s1
InChIKeyCRIDZJKECHTODK-HJAVCOCOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (7592016)
ChEBI Ontology
Outgoing Relation(s)
GERI-BP001 A (CHEBI:206111) is a organic heterotricyclic compound (CHEBI:26979)
GERI-BP001 A (CHEBI:206111) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,5S,7R,10R,18S)-18-hydroxy-2,6,6,10-tetramethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate
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8610178ChemSpider