Haliangicin B (CHEBI:220755)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220755 - Haliangicin B

Take structure to advanced search

ChEBI ID	CHEBI:220755
ChEBI Name	Haliangicin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H32O5
Net Charge	0
Average Mass	376.493
Monoisotopic Mass	376.22497
SMILES	C=C[C@@H]1O[C@@]1(C)C[C@@H](C)/C(C)=C/C=C(C)\C=C(OC)\C(=C\C(=O)OC)OC
InChI	InChI=1S/C22H32O5/c1-9-20-22(5,27-20)14-17(4)16(3)11-10-15(2)12-18(24-6)19(25-7)13-21(23)26-8/h9-13,17,20H,1,14H2,2-8H3/b15-10-,16-11+,18-12-,19-13-/t17-,20+,22+/m1/s1
InChIKey	XIKGETOZQXNXHV-FBPBFTCHSA-N

Species of Metabolite	Component	Source	Comments
Haliangium (ncbitaxon:162027)	-	PubMed (14513906)

ChEBI Ontology

Outgoing Relation(s)
	Haliangicin B (CHEBI:220755) is a monoterpenoid (CHEBI:25409)

IUPAC Name
methyl (2Z,4Z,6Z,8E,10R)-11-[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]-3,4-dimethoxy-6,9,10-trimethylundeca-2,4,6,8-tetraenoate

Manual Xrefs	Databases
78442868	ChemSpider