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CHEBI:223636 - Penicianstinoid A

ChEBI IDCHEBI:223636
ChEBI NamePenicianstinoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O12
Net Charge0
Average Mass598.601
Monoisotopic Mass598.20503
SMILESC=C1[C@]2(C=CC(=O)OC2(C)C)C[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@]34C(=O)O[C@H](C)[C@]35O[C@]12[C@H](OC(C)=O)[C@@](C)(OC5=O)C4=O
InChIInChI=1S/C31H34O12/c1-10-14(2)20(34)40-18-13-28(12-11-19(33)41-25(28,6)7)15(3)30-22(39-17(5)32)26(8)21(35)29(27(18,30)9)23(36)38-16(4)31(29,43-30)24(37)42-26/h10-12,16,18,22H,3,13H2,1-2,4-9H3/b14-10+/t16-,18-,22-,26+,27-,28+,29+,30+,31-/m1/s1
InChIKeyHOIMYOAUXAXUMU-QGZNTYMISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30990038)
ChEBI Ontology
Outgoing Relation(s)
Penicianstinoid A (CHEBI:223636) has functional parent hexacarboxylic acid (CHEBI:59359)
Penicianstinoid A (CHEBI:223636) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,3R,5R,7R,8S,9R,12R,13R)-8-acetyloxy-2,2',2',9,13-pentamethyl-6-methylidene-6',11,15,16-tetraoxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-pyran]-3-yl] (E)-2-methylbut-2-enoate