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CHEBI:203813 - Mniopetal C

Default Structure
ChEBI IDCHEBI:203813
ChEBI NameMniopetal C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O8
Net Charge0
Average Mass438.517
Monoisotopic Mass438.22537
SMILESCCCCCCC(O)C(=O)O[C@H]1CC(C)(C)[C@@H]2CC=C(C=O)[C@@H]3[C@@H](O)OC(=O)[C@@]32[C@H]1O
InChIInChI=1S/C23H34O8/c1-4-5-6-7-8-14(25)19(27)30-15-11-22(2,3)16-10-9-13(12-24)17-20(28)31-21(29)23(16,17)18(15)26/h9,12,14-18,20,25-26,28H,4-8,10-11H2,1-3H3/t14?,15-,16-,17+,18-,20-,23+/m0/s1
InChIKeyDSJKYHXDKAFGAJ-MCCJONFTSA-N
ChEBI Ontology
Outgoing Relation(s)
Mniopetal C (CHEBI:203813) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
IUPAC Name 
[(3S,3aS,6aS,9S,10R,10aR)-4-ormyl-3,10-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzouran-9-yl] 2-hydroxyoctanoate
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8270213ChemSpider