Chaxine B (CHEBI:215997)

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CHEBI:215997 - Chaxine B

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ChEBI ID	CHEBI:215997
ChEBI Name	Chaxine B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O5
Net Charge	0
Average Mass	458.639
Monoisotopic Mass	458.30322
SMILES	CC(C)C(C)/C=C/C(C)[C@H]1CC[C@H]2/C(=C/C(=O)OC3(C)CCC(O)CC3=O)C(=O)CC[C@]12C
InChI	InChI=1S/C28H42O5/c1-17(2)18(3)7-8-19(4)22-9-10-23-21(24(30)12-13-27(22,23)5)16-26(32)33-28(6)14-11-20(29)15-25(28)31/h7-8,16-20,22-23,29H,9-15H2,1-6H3/b8-7+,21-16-/t18?,19?,20?,22-,23+,27-,28?/m1/s1
InChIKey	HTXUAQKMNHGMFH-BUQUEDMSSA-N

Species of Metabolite	Component	Source	Comments
Agrocybe chaxingu (ncbitaxon:84603)	-	DOI (10.1016/j.tet.2009.09.064)

ChEBI Ontology

Outgoing Relation(s)
	Chaxine B (CHEBI:215997) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(4-hydroxy-1-methyl-2-oxocyclohexyl) (2Z)-2-[(1R,3aR,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene]acetate

Manual Xrefs	Databases
78445277	ChemSpider