12a-Hydroxyerythynone (CHEBI:166648)

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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	12a-Hydroxyerythynone

ChEBI ID	CHEBI:166648

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H24O8

Net Charge

Average Mass

440.448

Monoisotopic Mass

440.14712

InChI

InChI=1S/C24H24O8/c1-23(2)7-6-12-20-13(8-18(29-5)21(12)32-23)22(25)24(26)14-9-16(27-3)17(28-4)10-15(14)30-11-19(24)31-20/h6-10,19,26H,11H2,1-5H3

InChIKey

VSSFKDAMVNYAEJ-UHFFFAOYSA-N

SMILES

O1C2C(O)(C=3C(OC2)=CC(OC)=C(OC)C3)C(=O)C=4C1=C5C(OC(C=C5)(C)C)=C(OC)C4

ChEBI Ontology
Outgoing	12a-Hydroxyerythynone (CHEBI:166648) is a rotenones (CHEBI:72581)

IUPAC Name

14-hydroxy-10,17,18-trimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-one