Chaetothyrin A (CHEBI:218186)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Chaetothyrin A

ChEBI ID	CHEBI:218186

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O4

Net Charge

Average Mass

280.364

Monoisotopic Mass

280.16746

InChI

InChI=1S/C16H24O4/c1-15(2)6-5-7-16(3)9-8-20-14(18)10(9)12(19-4)11(17)13(15)16/h9,11,13,17H,5-8H2,1-4H3/t9-,11-,13-,16+/m0/s1

InChIKey

HNMFXTFSDXGPBX-DFGBYOQWSA-N

SMILES

O=C1OC[C@H]2C1=C(OC)[C@H](O)[C@H]3C(CCC[C@]23C)(C)C

ChEBI Ontology
Outgoing	Chaetothyrin A (CHEBI:218186) is a naphthofuran (CHEBI:39270)

IUPAC Name

(5R,5aS,9aR,9bR)-5-hydroxy-4-methoxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-3-one