erinacine Q (CHEBI:194357)

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CHEBI:194357 - erinacine Q

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ChEBI ID	CHEBI:194357
ChEBI Name	erinacine Q
Stars
Definition	Major species at pH 7.3
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C27H42O8
Net Charge	0
Average Mass	494.625
Monoisotopic Mass	494.28797
SMILES	[H][C@]12C[C@@H](OC(C)=O)C(CO)=C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C12
InChI	InChI=1S/C27H42O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-20(34-15(3)29)16(12-28)10-21(27)35-25-24(32)23(31)19(30)13-33-25/h10,14,18-21,23-25,28,30-32H,6-9,11-13H2,1-5H3/t18-,19-,20-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKey	BNEKFVWNEHVFNT-JGSLRZJPSA-N

ChEBI Ontology

Outgoing Relation(s)
	erinacine Q (CHEBI:194357) is a carbotricyclic compound (CHEBI:38032)
	erinacine Q (CHEBI:194357) is a diterpene (CHEBI:35190)
	erinacine Q (CHEBI:194357) is a organic anion (CHEBI:25696)
	erinacine Q (CHEBI:194357) is a polycyclic olefin (CHEBI:35714)

UniProt Name	Source
erinacine Q	UniProt

Manual Xrefs	Databases
CPD-26042	MetaCyc

Citations