Jiangxienone (CHEBI:227430)

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CHEBI:227430 - Jiangxienone

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ChEBI ID	CHEBI:227430
ChEBI Name	Jiangxienone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H40O4
Net Charge	0
Average Mass	440.624
Monoisotopic Mass	440.29266
SMILES	CC(C)C(C)/C=C/[C@H](C)C1CCC2/C(=C/C(=O)OC3(C)CCC=CC3=O)C(=O)CC[C@@]21C
InChI	InChI=1S/C28H40O4/c1-18(2)19(3)10-11-20(4)22-12-13-23-21(24(29)14-16-27(22,23)5)17-26(31)32-28(6)15-8-7-9-25(28)30/h7,9-11,17-20,22-23H,8,12-16H2,1-6H3/b11-10+,21-17-/t19?,20-,22?,23?,27+,28?/m0/s1
InChIKey	HHOHGMGBNVADCJ-MFJAYZNKSA-N

Species of Metabolite	Component	Source	Comments
Ophiocordyceps jiangxiensis (ncbitaxon:2759886)	-	PubMed (22782880)

ChEBI Ontology

Outgoing Relation(s)
	Jiangxienone (CHEBI:227430) is a sesquiterpenoid (CHEBI:26658)

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

Manual Xrefs	Databases
78445616	ChemSpider