CHEBI:184676 - (-)-Fusicoplagin A

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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 (-)-Fusicoplagin A
ChEBI ID CHEBI:184676
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O7
Net Charge 0
Average Mass 438.561
Monoisotopic Mass 438.26175
InChI InChI=1S/C24H38O7/c1-12(2)24(29)8-7-23(11-30-15(5)25)10-18-13(3)19(27)9-17(18)14(4)21(31-16(6)26)20(28)22(23)24/h12,14,17-22,27-29H,3,7-11H2,1-2,4-6H3/t14-,17+,18+,19+,20+,21+,22-,23-,24-/m1/s1
InChIKey AMBIXBPMZZPLEH-RITQMIIASA-N
SMILES O[C@@]1([C@]2([C@@](C[C@@]3([C@]([C@H]([C@H](OC(=O)C)[C@@H]2O)C)(C[C@H](O)C3=C)[H])[H])(CC1)COC(=O)C)[H])C(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-Fusicoplagin A (CHEBI:184676) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S,3R,5S,7R,8R,9S,10R,11S,12R)-9-acetyloxy-5,10,12-trihydroxy-8-methyl-4-methylidene-12-propan-2-yl-1-tricyclo[9.3.0.03,7]tetradecanyl]methyl acetate
Manual Xref Database
24846813 ChemSpider
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