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CHEBI:194356 - erinacine Q2

ChEBI IDCHEBI:194356
ChEBI Nameerinacine Q2
Stars
DefinitionMajoor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H44O9
Net Charge0
Average Mass524.651
Monoisotopic Mass524.29853
SMILES[H][C@]12C[C@@H](OC(C)=O)C(CO)=C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C12
InChIInChI=1S/C28H44O9/c1-14(2)17-6-7-27(4)8-9-28(5)18(22(17)27)11-19(35-15(3)31)16(12-29)10-21(28)37-26-25(34)24(33)23(32)20(13-30)36-26/h10,14,18-21,23-26,29-30,32-34H,6-9,11-13H2,1-5H3/t18-,19-,20-,21+,23-,24+,25-,26+,27-,28-/m1/s1
InChIKeyDKDHCPURWYANFN-ZHHQWEAXSA-N
ChEBI Ontology
Outgoing Relation(s)
erinacine Q2 (CHEBI:194356) is a carbotricyclic compound (CHEBI:38032)
erinacine Q2 (CHEBI:194356) is a diterpene (CHEBI:35190)
erinacine Q2 (CHEBI:194356) is a polycyclic olefin (CHEBI:35714)
UniProt Name  Source
erinacine Q2UniProt
Citations