CHEBI:194356 - erinacine Q2

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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 erinacine Q2
ChEBI ID CHEBI:194356
Definition Majoor species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H44O9
Net Charge 0
Average Mass 524.651
Monoisotopic Mass 524.29853
InChI InChI=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
InChIKey DKDHCPURWYANFN-ZHHQWEAXSA-N
SMILES C1C[C@@]2([C@@](C=3[C@@]1(CCC3C(C)C)C)(C[C@H](C(=C[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)OC(C)=O)[H])C
ChEBI Ontology
Outgoing 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)
Synonym Source
erinacine Q2 UniProt
Citation Waiting for Citations Type Source
31535864 PubMed citation SUBMITTER