CHEBI:215446 - Botryosphaerin G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Botryosphaerin G
ChEBI ID CHEBI:215446
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C16H20O5
Net Charge 0
Average Mass 292.331
Monoisotopic Mass 292.13107
InChI InChI=1S/C16H20O5/c1-14-4-3-5-15(2)11(14)10(20-13(15)18)12-16(21-12)7-19-9(17)6-8(14)16/h8,10-12H,3-7H2,1-2H3/t8-,10+,11-,12-,14-,15+,16+/m1/s1
InChIKey HRFQLQHRQHOYSK-CWMDQABVSA-N
SMILES O=C1OC[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@]([C@H]3C1)(CCC5)C)C)=O
Metabolite of Species Details
Botryosphaeriaspecies P483 (NCBI:txid1820283) See: PubMed
ChEBI Ontology
Outgoing Botryosphaerin G (CHEBI:215446) is a organic heterotricyclic compound (CHEBI:26979)
Botryosphaerin G (CHEBI:215446) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,4R,9R,10S,14S,17R)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadecane-7,15-dione
Manual Xref Database
58838855 ChemSpider
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