Atranone G (CHEBI:207062)

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CHEBI:207062 - Atranone G

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ChEBI ID	CHEBI:207062
ChEBI Name	Atranone G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H34O8
Net Charge	0
Average Mass	462.539
Monoisotopic Mass	462.22537
SMILES	COC1=C(C(C)C)[C@H]2C/C=C(/C)C(OC(C)=O)[C@@]3(O)CC(=O)O/C3=C(\C)CC[C@]2(C)OC1=O
InChI	InChI=1S/C25H34O8/c1-13(2)19-17-9-8-14(3)21(31-16(5)26)25(29)12-18(27)32-22(25)15(4)10-11-24(17,6)33-23(28)20(19)30-7/h8,13,17,21,29H,9-12H2,1-7H3/b14-8-,22-15+/t17-,21?,24+,25+/m1/s1
InChIKey	WSJAHUXFDVXVRY-GSSRFQNSSA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys chartarum (ncbitaxon:74722)	-	DOI (10.1016/s0031-9422(00)00231-4)

ChEBI Ontology

Outgoing Relation(s)
	Atranone G (CHEBI:207062) is a carbonyl compound (CHEBI:36586)

IUPAC Name
[(1S,4E,9S,11Z,14R)-9-hydroxy-16-methoxy-1,4,11-trimethyl-7,17-dioxo-15-propan-2-yl-6,18-dioxatricyclo[12.4.0.05,9]octadeca-4,11,15-trien-10-yl] acetate

Manual Xrefs	Databases
78440227	ChemSpider