Albatrelin B (CHEBI:211975)

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CHEBI:211975 - Albatrelin B

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ChEBI ID	CHEBI:211975
ChEBI Name	Albatrelin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O3
Net Charge	0
Average Mass	356.506
Monoisotopic Mass	356.23514
SMILES	COc1cc(C)c(O)c2c1C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O2
InChI	InChI=1S/C23H32O3/c1-16(2)9-7-10-17(3)11-8-13-23(5)14-12-19-20(25-6)15-18(4)21(24)22(19)26-23/h9,11-12,14-15,24H,7-8,10,13H2,1-6H3/b17-11+/t23-/m1/s1
InChIKey	MYIDCWYCVAPNOL-XMQQHFNTSA-N

Species of Metabolite	Component	Source	Comments
Albatrellus ovinus (ncbitaxon:139090)	-	PubMed (23305465)

ChEBI Ontology

Outgoing Relation(s)
	Albatrelin B (CHEBI:211975) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methoxy-2,7-dimethylchromen-8-ol

Manual Xrefs	Databases
29416606	ChemSpider