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CHEBI:217396 - GERI-BP001

ChEBI IDCHEBI:217396
ChEBI NameGERI-BP001
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)CC[C@H]2C1(C)C
InChIInChI=1S/C27H33NO5/c1-16(29)31-23-9-10-26(4)21(25(23,2)3)8-11-27(5)22(26)13-18-20(33-27)14-19(32-24(18)30)17-7-6-12-28-15-17/h6-7,12,14-15,21-23H,8-11,13H2,1-5H3/t21-,22+,23-,26-,27+/m0/s1
InChIKeySDKNSMCWHHTGRG-KCXTWHPGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/s0040-4039(00)73240-0)
ChEBI Ontology
Outgoing Relation(s)
GERI-BP001 (CHEBI:217396) is a organic heterotricyclic compound (CHEBI:26979)
GERI-BP001 (CHEBI:217396) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,5S,7R,10R)-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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8065706ChemSpider